6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide

C27H34N6O3 — CID 70830793

IUPAC6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)Nc2ccc3c(C(=O)N[C@@H]4CC5CCCN(C)C5C4)nn(C)c3c2)c1
InChIInChI=1S/C27H34N6O3/c1-32-11-5-7-18-13-20(15-23(18)32)29-26(34)25-22-10-9-19(14-24(22)33(2)31-25)30-27(35)28-16-17-6-4-8-21(12-17)36-3/h4,6,8-10,12,14,18,20,23H,5,7,11,13,15-16H2,1-3H3,(H,29,34)(H2,28,30,35)/t18?,20-,23?/m1/s1
InChIKeyNVHMMVGUBRKNJL-WRSRUZKNSA-N
MW490.61 g/mol
LogP3.51
Rot. Bonds6

About 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide

6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide (PubChem CID 70830793) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide
PubChem CID70830793
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)Nc2ccc3c(C(=O)N[C@@H]4CC5CCCN(C)C5C4)nn(C)c3c2)c1
InChIInChI=1S/C27H34N6O3/c1-32-11-5-7-18-13-20(15-23(18)32)29-26(34)25-22-10-9-19(14-24(22)33(2)31-25)30-27(35)28-16-17-6-4-8-21(12-17)36-3/h4,6,8-10,12,14,18,20,23H,5,7,11,13,15-16H2,1-3H3,(H,29,34)(H2,28,30,35)/t18?,20-,23?/m1/s1
InChIKeyNVHMMVGUBRKNJL-WRSRUZKNSA-N
XLogP3.51
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
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CID 70985796
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
2-chloro-N-cyclopropyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]benzamide
CID 55836840
N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-methylindazole-3-carboxamide
CID 67845877
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
CID 72935785
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223353

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide?
The IUPAC name of 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide (CID 70830793) is 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide?
The canonical SMILES for 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide is COc1cccc(CNC(=O)Nc2ccc3c(C(=O)N[C@@H]4CC5CCCN(C)C5C4)nn(C)c3c2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide?
The InChIKey is NVHMMVGUBRKNJL-WRSRUZKNSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-32-11-5-7-18-13-20(15-23(18)32)29-26(34)25-22-10-9-19(14-24(22)33(2)31-25)30-27(35)28-16-17-6-4-8-21(12-17)36-3/h4,6,8-10,12,14,18,20,23H,5,7,11,13,15-16H2,1-3H3,(H,29,34)(H2,28,30,35)/t18?,20-,23?/m1/s1.
What are the key properties of 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide?
6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide is sourced from PubChem (CID 70830793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).