2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C32H33FN8OS — CID 151676864

IUPAC2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCc1cc(N2CC3(CN(C(=O)C4CN(C)C4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
InChIInChI=1S/C32H33FN8OS/c1-19-10-24(39-15-32(16-39)17-40(18-32)30(42)22-13-37(2)14-22)11-25-29(28(21-4-5-21)36-41(19)25)38(3)31-35-27(26(12-34)43-31)20-6-8-23(33)9-7-20/h6-11,21-22H,4-5,13-18H2,1-3H3
InChIKeyQZRYQXROQXOHAA-UHFFFAOYSA-N
MW596.74 g/mol
LogP4.63
Rot. Bonds6

About 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 151676864) has the molecular formula C32H33FN8OS and a molecular weight of 596.74 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID151676864
Molecular FormulaC32H33FN8OS
Molecular Weight596.74 g/mol
Exact Mass596.25
IUPAC Name2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCc1cc(N2CC3(CN(C(=O)C4CN(C)C4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
InChIInChI=1S/C32H33FN8OS/c1-19-10-24(39-15-32(16-39)17-40(18-32)30(42)22-13-37(2)14-22)11-25-29(28(21-4-5-21)36-41(19)25)38(3)31-35-27(26(12-34)43-31)20-6-8-23(33)9-7-20/h6-11,21-22H,4-5,13-18H2,1-3H3
InChIKeyQZRYQXROQXOHAA-UHFFFAOYSA-N
XLogP4.63
TPSA84.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.74
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 151676864) is 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is Cc1cc(N2CC3(CN(C(=O)C4CN(C)C4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.
What is the InChIKey of 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is QZRYQXROQXOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN8OS/c1-19-10-24(39-15-32(16-39)17-40(18-32)30(42)22-13-37(2)14-22)11-25-29(28(21-4-5-21)36-41(19)25)38(3)31-35-27(26(12-34)43-31)20-6-8-23(33)9-7-20/h6-11,21-22H,4-5,13-18H2,1-3H3.
What are the key properties of 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 596.74 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 151676864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).