N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide

C20H21N7OS — CID 139431543

IUPACN-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCNCC5)c4)cc23)s1
InChIInChI=1S/C20H21N7OS/c1-12-22-10-18(29-12)24-20(28)19-16-8-13(2-3-17(16)25-26-19)14-9-23-27(11-14)15-4-6-21-7-5-15/h2-3,8-11,15,21H,4-7H2,1H3,(H,24,28)(H,25,26)
InChIKeyOFKPVZZTCFJFAF-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.37
Rot. Bonds4

About N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431543) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431543
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC NameN-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCNCC5)c4)cc23)s1
InChIInChI=1S/C20H21N7OS/c1-12-22-10-18(29-12)24-20(28)19-16-8-13(2-3-17(16)25-26-19)14-9-23-27(11-14)15-4-6-21-7-5-15/h2-3,8-11,15,21H,4-7H2,1H3,(H,24,28)(H,25,26)
InChIKeyOFKPVZZTCFJFAF-UHFFFAOYSA-N
XLogP3.37
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431543) is N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCNCC5)c4)cc23)s1.
What is the InChIKey of N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is OFKPVZZTCFJFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-12-22-10-18(29-12)24-20(28)19-16-8-13(2-3-17(16)25-26-19)14-9-23-27(11-14)15-4-6-21-7-5-15/h2-3,8-11,15,21H,4-7H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).