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

C32H37FN8OS — CID 146267618

IUPAC2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCN(C(=O)C4CCN(C)CC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H37FN8OS/c1-5-26-30(38(4)32-35-29(28(20-34)43-32)22-6-8-24(33)9-7-22)27-19-25(18-21(2)41(27)36-26)39-14-16-40(17-15-39)31(42)23-10-12-37(3)13-11-23/h6-9,18-19,23H,5,10-17H2,1-4H3
InChIKeyANZHKAMGNMXVIF-UHFFFAOYSA-N
MW600.77 g/mol
LogP5.10
Rot. Bonds6

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

2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267618) has the molecular formula C32H37FN8OS and a molecular weight of 600.77 g/mol. Its IUPAC name is 2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-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-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267618
Molecular FormulaC32H37FN8OS
Molecular Weight600.77 g/mol
Exact Mass600.28
IUPAC Name2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCN(C(=O)C4CCN(C)CC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H37FN8OS/c1-5-26-30(38(4)32-35-29(28(20-34)43-32)22-6-8-24(33)9-7-22)27-19-25(18-21(2)41(27)36-26)39-14-16-40(17-15-39)31(42)23-10-12-37(3)13-11-23/h6-9,18-19,23H,5,10-17H2,1-4H3
InChIKeyANZHKAMGNMXVIF-UHFFFAOYSA-N
XLogP5.10
TPSA84.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-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-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267618) is 2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-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-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-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-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCN(C(=O)C4CCN(C)CC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is ANZHKAMGNMXVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN8OS/c1-5-26-30(38(4)32-35-29(28(20-34)43-32)22-6-8-24(33)9-7-22)27-19-25(18-21(2)41(27)36-26)39-14-16-40(17-15-39)31(42)23-10-12-37(3)13-11-23/h6-9,18-19,23H,5,10-17H2,1-4H3.
What are the key properties of 2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-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 600.77 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-7-methyl-5-[4-(1-methylpiperidine-4-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 146267618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).