6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C50H60BrN19O3 — CID 123830453

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCNCC2)n2ncc(-c3ccncc3)c2n1.Cn1cc(-c2cnn3c(N)c(Br)c(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCCC45OCCO5)nc23)cn1
InChIInChI=1S/C18H22N6O2.C17H20N6.C15H18BrN7O/c1-23-11-12(9-20-23)13-10-21-24-16(19)8-15(22-17(13)24)14-4-2-3-5-18(14)25-6-7-26-18;1-12-10-16(22-14-4-8-19-9-5-14)23-17(21-12)15(11-20-23)13-2-6-18-7-3-13;1-22-8-9(5-19-22)11-7-20-23-14(17)13(16)12(21-15(11)23)4-10-6-18-2-3-24-10/h8-11,14H,2-7,19H2,1H3;2-3,6-7,10-11,14,19,22H,4-5,8-9H2,1H3;5,7-8,10,18H,2-4,6,17H2,1H3
InChIKeyOPXNUNPGGKRVBE-UHFFFAOYSA-N
MW1055.06 g/mol
LogP5.38
Rot. Bonds8

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123830453) has the molecular formula C50H60BrN19O3 and a molecular weight of 1055.06 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID123830453
Molecular FormulaC50H60BrN19O3
Molecular Weight1055.06 g/mol
Exact Mass1053.43
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCNCC2)n2ncc(-c3ccncc3)c2n1.Cn1cc(-c2cnn3c(N)c(Br)c(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCCC45OCCO5)nc23)cn1
InChIInChI=1S/C18H22N6O2.C17H20N6.C15H18BrN7O/c1-23-11-12(9-20-23)13-10-21-24-16(19)8-15(22-17(13)24)14-4-2-3-5-18(14)25-6-7-26-18;1-12-10-16(22-14-4-8-19-9-5-14)23-17(21-12)15(11-20-23)13-2-6-18-7-3-13;1-22-8-9(5-19-22)11-7-20-23-14(17)13(16)12(21-15(11)23)4-10-6-18-2-3-24-10/h8-11,14H,2-7,19H2,1H3;2-3,6-7,10-11,14,19,22H,4-5,8-9H2,1H3;5,7-8,10,18H,2-4,6,17H2,1H3
InChIKeyOPXNUNPGGKRVBE-UHFFFAOYSA-N
XLogP5.38
TPSA254.92 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.06
LogP ≤ 55.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(1,4-Dioxa-8-azaspiro[4.5]decan-6-yl)-3-[1-methyl-2-[7-(piperidin-4-ylamino)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrazol-1-ium-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58837307
3-[(Z)-1-(dimethylamino)-3-[7-(piperidin-4-ylamino)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]iminoprop-1-en-2-yl]-5-(1,4-dioxa-8-azaspiro[4.5]decan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 121399975
1-[5-[(4-aminocyclohexyl)amino]-3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-2-yl]-2-[(2S)-1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol
CID 142870327
6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 145500684
(2R)-2-[[3-bromo-7-[(1-methoxypyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2S)-2-[[3-bromo-7-[(1-methoxypyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;2-[1-[3-bromo-7-[(1-methoxypyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;[1-[3-bromo-7-[(1-methoxypyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol;2-[(2S)-1-[3-bromo-7-[(1-methoxypyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol
CID 157096208
2-[1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;[1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol;2-[(2S)-1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157109038
3-bromo-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(oxan-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157139356
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
6-bromo-5-[[[(2S)-2,6-dimethyloxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[4-(methoxymethyl)oxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[(3-methoxyoxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157648235
(2S)-2-[[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;2-[1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;[1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol;2-[(2S)-1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol
CID 157762857
2-[1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157772915

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 123830453) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCNCC2)n2ncc(-c3ccncc3)c2n1.Cn1cc(-c2cnn3c(N)c(Br)c(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCCC45OCCO5)nc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OPXNUNPGGKRVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2.C17H20N6.C15H18BrN7O/c1-23-11-12(9-20-23)13-10-21-24-16(19)8-15(22-17(13)24)14-4-2-3-5-18(14)25-6-7-26-18;1-12-10-16(22-14-4-8-19-9-5-14)23-17(21-12)15(11-20-23)13-2-6-18-7-3-13;1-22-8-9(5-19-22)11-7-20-23-14(17)13(16)12(21-15(11)23)4-10-6-18-2-3-24-10/h8-11,14H,2-7,19H2,1H3;2-3,6-7,10-11,14,19,22H,4-5,8-9H2,1H3;5,7-8,10,18H,2-4,6,17H2,1H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1055.06 g/mol, XLogP of 5.38, 8 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123830453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).