3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C98H122Br2N32O4 — CID 159782290

IUPAC3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(Br)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12
InChIInChI=1S/C19H21N5O2.C19H21N5.C17H19N5.2C16H24N6O.C11H13Br2N5/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;20-18-11-17(15-7-4-10-21-12-15)23-19-16(13-22-24(18)19)9-8-14-5-2-1-3-6-14;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;2*17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21;12-7-5-16-18-10(14)8(13)9(17-11(7)18)6-2-1-3-15-4-6/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;1-3,5-6,8-9,11,13,15,21H,4,7,10,12,20H2;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;2*8,10,12,18H,1-7,9,11,17H2;5-6,15H,1-4,14H2/b;9-8+;;;;
InChIKeyNHMUDHROEADZMI-DVVOUOQMSA-N
MW1972.08 g/mol
LogP11.15
Rot. Bonds15

About 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159782290) has the molecular formula C98H122Br2N32O4 and a molecular weight of 1972.08 g/mol. Its IUPAC name is 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159782290
Molecular FormulaC98H122Br2N32O4
Molecular Weight1972.08 g/mol
Exact Mass1968.87
IUPAC Name3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(Br)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12
InChIInChI=1S/C19H21N5O2.C19H21N5.C17H19N5.2C16H24N6O.C11H13Br2N5/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;20-18-11-17(15-7-4-10-21-12-15)23-19-16(13-22-24(18)19)9-8-14-5-2-1-3-6-14;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;2*17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21;12-7-5-16-18-10(14)8(13)9(17-11(7)18)6-2-1-3-15-4-6/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;1-3,5-6,8-9,11,13,15,21H,4,7,10,12,20H2;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;2*8,10,12,18H,1-7,9,11,17H2;5-6,15H,1-4,14H2/b;9-8+;;;;
InChIKeyNHMUDHROEADZMI-DVVOUOQMSA-N
XLogP11.15
TPSA460.68 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001972.08
LogP ≤ 511.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 159960290
Methyl 3-[7-amino-5-[6-[3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoate
CID 145500518
Methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 145500545
6-(3,5-Dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride
CID 157277014
5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157408745
6-bromo-3-(3-methylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-thian-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157437132
5-[(3R)-3-aminocyclopentyl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157452022
1-O-benzyl 2-O-tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 157483560
[2-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methanol;ethyl 2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 157530281
3-bromo-5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;5-bromo-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;3-[5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;methyl 3-[5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]benzoate
CID 157560848
2-butyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;2-cyclopropyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;N,6-dimethyl-4-(1H-1,2,4-triazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2,6-diethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;methyl 2-ethyl-6-propan-2-ylpyridine-4-carboxylate;N-methyl-4-(1H-pyrazol-4-yl)pyridin-2-amine;N-methyl-4-(1H-1,2,4-triazol-5-yl)pyridin-2-amine
CID 157634443
tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-4H-imidazol-2-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine
CID 157662973

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159782290) is 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(Br)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12.
What is the InChIKey of 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NHMUDHROEADZMI-DVVOUOQMSA-N. The full InChI is InChI=1S/C19H21N5O2.C19H21N5.C17H19N5.2C16H24N6O.C11H13Br2N5/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;20-18-11-17(15-7-4-10-21-12-15)23-19-16(13-22-24(18)19)9-8-14-5-2-1-3-6-14;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;2*17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21;12-7-5-16-18-10(14)8(13)9(17-11(7)18)6-2-1-3-15-4-6/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;1-3,5-6,8-9,11,13,15,21H,4,7,10,12,20H2;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;2*8,10,12,18H,1-7,9,11,17H2;5-6,15H,1-4,14H2/b;9-8+;;;;.
What are the key properties of 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1972.08 g/mol, XLogP of 11.15, 15 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;bis(3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159782290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).