N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C27H27N5O2 — CID 166041463

IUPACN-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(C)c(C(=O)N[C@H]4CC[C@@H](c5ccccc5)C4)c3)ccc12
InChIInChI=1S/C27H27N5O2/c1-16-23(26(33)30-21-10-8-18(12-21)17-6-4-3-5-7-17)13-20(15-29-16)19-9-11-22-24(14-19)31-32-25(22)27(34)28-2/h3-7,9,11,13-15,18,21H,8,10,12H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21+/m1/s1
InChIKeyZBNITMLHKIGPCC-NQIIRXRSSA-N
MW453.55 g/mol
LogP4.36
Rot. Bonds5

About N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 166041463) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID166041463
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(C)c(C(=O)N[C@H]4CC[C@@H](c5ccccc5)C4)c3)ccc12
InChIInChI=1S/C27H27N5O2/c1-16-23(26(33)30-21-10-8-18(12-21)17-6-4-3-5-7-17)13-20(15-29-16)19-9-11-22-24(14-19)31-32-25(22)27(34)28-2/h3-7,9,11,13-15,18,21H,8,10,12H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21+/m1/s1
InChIKeyZBNITMLHKIGPCC-NQIIRXRSSA-N
XLogP4.36
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 166041463) is N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3cnc(C)c(C(=O)N[C@H]4CC[C@@H](c5ccccc5)C4)c3)ccc12.
What is the InChIKey of N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is ZBNITMLHKIGPCC-NQIIRXRSSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-16-23(26(33)30-21-10-8-18(12-21)17-6-4-3-5-7-17)13-20(15-29-16)19-9-11-22-24(14-19)31-32-25(22)27(34)28-2/h3-7,9,11,13-15,18,21H,8,10,12H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21+/m1/s1.
What are the key properties of N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).