N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

C32H34FN7O3 — CID 89499578

IUPACN-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C32H34FN7O3/c1-38(2)32(42)28-13-10-22(17-40(28)18-24-25(33)6-5-7-29(24)43-4)34-31(41)20-9-12-27-23(15-20)30(36-35-27)19-8-11-26-21(14-19)16-39(3)37-26/h5-9,11-12,14-16,22,28H,10,13,17-18H2,1-4H3,(H,34,41)(H,35,36)/t22-,28+/m1/s1
InChIKeyQANCSQQHEZDJCB-DFHRPNOPSA-N
MW583.67 g/mol
LogP4.12
Rot. Bonds7

About N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (PubChem CID 89499578) has the molecular formula C32H34FN7O3 and a molecular weight of 583.67 g/mol. Its IUPAC name is N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
PubChem CID89499578
Molecular FormulaC32H34FN7O3
Molecular Weight583.67 g/mol
Exact Mass583.27
IUPAC NameN-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C32H34FN7O3/c1-38(2)32(42)28-13-10-22(17-40(28)18-24-25(33)6-5-7-29(24)43-4)34-31(41)20-9-12-27-23(15-20)30(36-35-27)19-8-11-26-21(14-19)16-39(3)37-26/h5-9,11-12,14-16,22,28H,10,13,17-18H2,1-4H3,(H,34,41)(H,35,36)/t22-,28+/m1/s1
InChIKeyQANCSQQHEZDJCB-DFHRPNOPSA-N
XLogP4.12
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.67
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-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)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (CID 89499578) is N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)N(C)C.
What is the InChIKey of N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is QANCSQQHEZDJCB-DFHRPNOPSA-N. The full InChI is InChI=1S/C32H34FN7O3/c1-38(2)32(42)28-13-10-22(17-40(28)18-24-25(33)6-5-7-29(24)43-4)34-31(41)20-9-12-27-23(15-20)30(36-35-27)19-8-11-26-21(14-19)16-39(3)37-26/h5-9,11-12,14-16,22,28H,10,13,17-18H2,1-4H3,(H,34,41)(H,35,36)/t22-,28+/m1/s1.
What are the key properties of N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 583.67 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 89499578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).