2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C32H35FN8OS — CID 146267608

IUPAC2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCc1cc(N2CCN(C(=O)C3CCN(C)C3)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
InChIInChI=1S/C32H35FN8OS/c1-20-16-25(39-12-14-40(15-13-39)31(42)23-10-11-37(2)19-23)17-26-30(29(22-4-5-22)36-41(20)26)38(3)32-35-28(27(18-34)43-32)21-6-8-24(33)9-7-21/h6-9,16-17,22-23H,4-5,10-15,19H2,1-3H3
InChIKeyUIBZJUWEMAFTDL-UHFFFAOYSA-N
MW598.75 g/mol
LogP5.02
Rot. Bonds6

About 2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267608) has the molecular formula C32H35FN8OS and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-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-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267608
Molecular FormulaC32H35FN8OS
Molecular Weight598.75 g/mol
Exact Mass598.26
IUPAC Name2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCc1cc(N2CCN(C(=O)C3CCN(C)C3)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
InChIInChI=1S/C32H35FN8OS/c1-20-16-25(39-12-14-40(15-13-39)31(42)23-10-11-37(2)19-23)17-26-30(29(22-4-5-22)36-41(20)26)38(3)32-35-28(27(18-34)43-32)21-6-8-24(33)9-7-21/h6-9,16-17,22-23H,4-5,10-15,19H2,1-3H3
InChIKeyUIBZJUWEMAFTDL-UHFFFAOYSA-N
XLogP5.02
TPSA84.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-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-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267608) is 2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-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-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-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-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is Cc1cc(N2CCN(C(=O)C3CCN(C)C3)CC2)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-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is UIBZJUWEMAFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN8OS/c1-20-16-25(39-12-14-40(15-13-39)31(42)23-10-11-37(2)19-23)17-26-30(29(22-4-5-22)36-41(20)26)38(3)32-35-28(27(18-34)43-32)21-6-8-24(33)9-7-21/h6-9,16-17,22-23H,4-5,10-15,19H2,1-3H3.
What are the key properties of 2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 598.75 g/mol, XLogP of 5.02, 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-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).