N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C31H30FN7O3S — CID 89499231

IUPACN-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)Nc1nccs1
InChIInChI=1S/C31H30FN7O3S/c1-18-14-19(10-11-33-18)28-22-15-20(6-8-25(22)37-38-28)29(40)35-21-7-9-26(30(41)36-31-34-12-13-43-31)39(16-21)17-23-24(32)4-3-5-27(23)42-2/h3-6,8,10-15,21,26H,7,9,16-17H2,1-2H3,(H,35,40)(H,37,38)(H,34,36,41)/t21-,26+/m1/s1
InChIKeyJCPLREQISQGSMG-RLWLMLJZSA-N
MW599.69 g/mol
LogP4.94
Rot. Bonds8

About N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 89499231) has the molecular formula C31H30FN7O3S and a molecular weight of 599.69 g/mol. Its IUPAC name is N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID89499231
Molecular FormulaC31H30FN7O3S
Molecular Weight599.69 g/mol
Exact Mass599.21
IUPAC NameN-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)Nc1nccs1
InChIInChI=1S/C31H30FN7O3S/c1-18-14-19(10-11-33-18)28-22-15-20(6-8-25(22)37-38-28)29(40)35-21-7-9-26(30(41)36-31-34-12-13-43-31)39(16-21)17-23-24(32)4-3-5-27(23)42-2/h3-6,8,10-15,21,26H,7,9,16-17H2,1-2H3,(H,35,40)(H,37,38)(H,34,36,41)/t21-,26+/m1/s1
InChIKeyJCPLREQISQGSMG-RLWLMLJZSA-N
XLogP4.94
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.69
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 89499231) is N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)Nc1nccs1.
What is the InChIKey of N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is JCPLREQISQGSMG-RLWLMLJZSA-N. The full InChI is InChI=1S/C31H30FN7O3S/c1-18-14-19(10-11-33-18)28-22-15-20(6-8-25(22)37-38-28)29(40)35-21-7-9-26(30(41)36-31-34-12-13-43-31)39(16-21)17-23-24(32)4-3-5-27(23)42-2/h3-6,8,10-15,21,26H,7,9,16-17H2,1-2H3,(H,35,40)(H,37,38)(H,34,36,41)/t21-,26+/m1/s1.
What are the key properties of N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 599.69 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 89499231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).