N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine

C83H94BrN27OS — CID 158533552

IUPACN-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
SMILESCCn1nccc1Nc1cc(C2CCCCC2)nc2c(-c3ccn(C)c3)cnn12.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)no1.Cn1ccc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCCC4)nc23)c1.Cn1ccc(-c2cnn3c(Nc4nncs4)cc(C4CCCCC4)nc23)c1
InChIInChI=1S/C22H27N7.C21H22BrN7.C21H24N6O.C19H21N7S/c1-3-28-20(9-11-23-28)26-21-13-19(16-7-5-4-6-8-16)25-22-18(14-24-29(21)22)17-10-12-27(2)15-17;1-28-8-7-15(13-28)17-12-25-29-19(27-21-23-10-16(22)11-24-21)9-18(26-20(17)29)14-5-3-2-4-6-14;1-14-10-19(25-28-14)24-20-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(20)21)16-8-9-26(2)13-16;1-25-8-7-14(11-25)15-10-21-26-17(23-19-24-20-12-27-19)9-16(22-18(15)26)13-5-3-2-4-6-13/h9-16,26H,3-8H2,1-2H3;7-14H,2-6H2,1H3,(H,23,24,27);8-13,15H,3-7H2,1-2H3,(H,24,25);7-13H,2-6H2,1H3,(H,23,24)
InChIKeyHNRAQHBZGKWQIZ-UHFFFAOYSA-N
MW1597.82 g/mol
LogP19.02
Rot. Bonds17

About N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine

N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 158533552) has the molecular formula C83H94BrN27OS and a molecular weight of 1597.82 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
PubChem CID158533552
Molecular FormulaC83H94BrN27OS
Molecular Weight1597.82 g/mol
Exact Mass1595.70
IUPAC NameN-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
SMILESCCn1nccc1Nc1cc(C2CCCCC2)nc2c(-c3ccn(C)c3)cnn12.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)no1.Cn1ccc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCCC4)nc23)c1.Cn1ccc(-c2cnn3c(Nc4nncs4)cc(C4CCCCC4)nc23)c1
InChIInChI=1S/C22H27N7.C21H22BrN7.C21H24N6O.C19H21N7S/c1-3-28-20(9-11-23-28)26-21-13-19(16-7-5-4-6-8-16)25-22-18(14-24-29(21)22)17-10-12-27(2)15-17;1-28-8-7-15(13-28)17-12-25-29-19(27-21-23-10-16(22)11-24-21)9-18(26-20(17)29)14-5-3-2-4-6-14;1-14-10-19(25-28-14)24-20-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(20)21)16-8-9-26(2)13-16;1-25-8-7-14(11-25)15-10-21-26-17(23-19-24-20-12-27-19)9-16(22-18(15)26)13-5-3-2-4-6-13/h9-16,26H,3-8H2,1-2H3;7-14H,2-6H2,1H3,(H,23,24,27);8-13,15H,3-7H2,1-2H3,(H,24,25);7-13H,2-6H2,1H3,(H,23,24)
InChIKeyHNRAQHBZGKWQIZ-UHFFFAOYSA-N
XLogP19.02
TPSA284.01 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.82
LogP ≤ 519.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine (CID 158533552) is N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine is CCn1nccc1Nc1cc(C2CCCCC2)nc2c(-c3ccn(C)c3)cnn12.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)no1.Cn1ccc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCCC4)nc23)c1.Cn1ccc(-c2cnn3c(Nc4nncs4)cc(C4CCCCC4)nc23)c1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HNRAQHBZGKWQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7.C21H22BrN7.C21H24N6O.C19H21N7S/c1-3-28-20(9-11-23-28)26-21-13-19(16-7-5-4-6-8-16)25-22-18(14-24-29(21)22)17-10-12-27(2)15-17;1-28-8-7-15(13-28)17-12-25-29-19(27-21-23-10-16(22)11-24-21)9-18(26-20(17)29)14-5-3-2-4-6-14;1-14-10-19(25-28-14)24-20-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(20)21)16-8-9-26(2)13-16;1-25-8-7-14(11-25)15-10-21-26-17(23-19-24-20-12-27-19)9-16(22-18(15)26)13-5-3-2-4-6-13/h9-16,26H,3-8H2,1-2H3;7-14H,2-6H2,1H3,(H,23,24,27);8-13,15H,3-7H2,1-2H3,(H,24,25);7-13H,2-6H2,1H3,(H,23,24).
What are the key properties of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 1597.82 g/mol, XLogP of 19.02, 17 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 158533552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).