4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C25H27N5OS — CID 134329728

IUPAC4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)c1c(-c2ccnc(C(=O)Nc3nccs3)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C25H27N5OS/c1-15(2)22-19-13-17(16-5-8-26-9-6-16)3-4-20(19)29-23(22)18-7-10-27-21(14-18)24(31)30-25-28-11-12-32-25/h3-4,7,10-16,26,29H,5-6,8-9H2,1-2H3,(H,28,30,31)
InChIKeyCCJMOSBGVWZGMG-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.53
Rot. Bonds5

About 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 134329728) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID134329728
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)c1c(-c2ccnc(C(=O)Nc3nccs3)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C25H27N5OS/c1-15(2)22-19-13-17(16-5-8-26-9-6-16)3-4-20(19)29-23(22)18-7-10-27-21(14-18)24(31)30-25-28-11-12-32-25/h3-4,7,10-16,26,29H,5-6,8-9H2,1-2H3,(H,28,30,31)
InChIKeyCCJMOSBGVWZGMG-UHFFFAOYSA-N
XLogP5.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 134329728) is 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(C)c1c(-c2ccnc(C(=O)Nc3nccs3)c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is CCJMOSBGVWZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-15(2)22-19-13-17(16-5-8-26-9-6-16)3-4-20(19)29-23(22)18-7-10-27-21(14-18)24(31)30-25-28-11-12-32-25/h3-4,7,10-16,26,29H,5-6,8-9H2,1-2H3,(H,28,30,31).
What are the key properties of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134329728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).