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

C32H37FN6O3 — CID 70652803

IUPACN-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CC[C@H](CN1CC2=C(C=CC=C2F)OC)NC(=O)C3=CC4=C(C=C3)NN=C4C5=CC(=NC=C5)C
InChIInChI=1S/C32H37FN6O3/c1-5-15-38(3)32(41)28-12-10-23(18-39(28)19-25-26(33)7-6-8-29(25)42-4)35-31(40)22-9-11-27-24(17-22)30(37-36-27)21-13-14-34-20(2)16-21/h6-9,11,13-14,16-17,23,28H,5,10,12,15,18-19H2,1-4H3,(H,35,40)(H,36,37)/t23-,28+/m1/s1
InChIKeyGQXMXCJVHZMHKT-LXFBAYGMSA-N
MW572.70 g/mol
LogP4.40
Rot. Bonds9

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

N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 70652803) has the molecular formula C32H37FN6O3 and a molecular weight of 572.70 g/mol. Its IUPAC name is N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]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-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID70652803
Molecular FormulaC32H37FN6O3
Molecular Weight572.70 g/mol
Exact Mass572.29
IUPAC NameN-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CC[C@H](CN1CC2=C(C=CC=C2F)OC)NC(=O)C3=CC4=C(C=C3)NN=C4C5=CC(=NC=C5)C
InChIInChI=1S/C32H37FN6O3/c1-5-15-38(3)32(41)28-12-10-23(18-39(28)19-25-26(33)7-6-8-29(25)42-4)35-31(40)22-9-11-27-24(17-22)30(37-36-27)21-13-14-34-20(2)16-21/h6-9,11,13-14,16-17,23,28H,5,10,12,15,18-19H2,1-4H3,(H,35,40)(H,36,37)/t23-,28+/m1/s1
InChIKeyGQXMXCJVHZMHKT-LXFBAYGMSA-N
XLogP4.40
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity911

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.70
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]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

Related Compounds

(S)-1-(4-fluorobenzyl)-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,7-dicarboxamide
CID 91864701
1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 130301889
N-[(3-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933916
Teplinovivint
CID 89451003
(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
(3R)-4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)-N-[2-[(2-methoxyphenyl)methylamino]ethyl]piperazine-1-carboxamide
CID 9874480
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(4-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798393
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
{4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid
CID 71714669
2-fluoro-4-(3-fluoro-4-methoxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705079
N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]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-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 70652803) is N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]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-[methyl(propyl)carbamoyl]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-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is CCCN(C)C(=O)[C@@H]1CC[C@H](CN1CC2=C(C=CC=C2F)OC)NC(=O)C3=CC4=C(C=C3)NN=C4C5=CC(=NC=C5)C.
What is the InChIKey of N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is GQXMXCJVHZMHKT-LXFBAYGMSA-N. The full InChI is InChI=1S/C32H37FN6O3/c1-5-15-38(3)32(41)28-12-10-23(18-39(28)19-25-26(33)7-6-8-29(25)42-4)35-31(40)22-9-11-27-24(17-22)30(37-36-27)21-13-14-34-20(2)16-21/h6-9,11,13-14,16-17,23,28H,5,10,12,15,18-19H2,1-4H3,(H,35,40)(H,36,37)/t23-,28+/m1/s1.
What are the key properties of N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 572.70 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).