6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

C30H38N6O4 — CID 166041450

IUPAC6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CCCC(NC(=O)c2cc(-c3ccc4c(C(=O)NC)n[nH]c4c3)cnc2OC)C1
InChIInChI=1S/C30H38N6O4/c1-4-12-36(17-18-8-9-18)30(39)20-6-5-7-22(13-20)33-27(37)24-14-21(16-32-29(24)40-3)19-10-11-23-25(15-19)34-35-26(23)28(38)31-2/h10-11,14-16,18,20,22H,4-9,12-13,17H2,1-3H3,(H,31,38)(H,33,37)(H,34,35)
InChIKeyRTMCYDKWKPMHJJ-UHFFFAOYSA-N
MW546.67 g/mol
LogP3.93
Rot. Bonds10

About 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 166041450) has the molecular formula C30H38N6O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID166041450
Molecular FormulaC30H38N6O4
Molecular Weight546.67 g/mol
Exact Mass546.30
IUPAC Name6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CCCC(NC(=O)c2cc(-c3ccc4c(C(=O)NC)n[nH]c4c3)cnc2OC)C1
InChIInChI=1S/C30H38N6O4/c1-4-12-36(17-18-8-9-18)30(39)20-6-5-7-22(13-20)33-27(37)24-14-21(16-32-29(24)40-3)19-10-11-23-25(15-19)34-35-26(23)28(38)31-2/h10-11,14-16,18,20,22H,4-9,12-13,17H2,1-3H3,(H,31,38)(H,33,37)(H,34,35)
InChIKeyRTMCYDKWKPMHJJ-UHFFFAOYSA-N
XLogP3.93
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (CID 166041450) is 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is CCCN(CC1CC1)C(=O)C1CCCC(NC(=O)c2cc(-c3ccc4c(C(=O)NC)n[nH]c4c3)cnc2OC)C1.
What is the InChIKey of 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is RTMCYDKWKPMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4/c1-4-12-36(17-18-8-9-18)30(39)20-6-5-7-22(13-20)33-27(37)24-14-21(16-32-29(24)40-3)19-10-11-23-25(15-19)34-35-26(23)28(38)31-2/h10-11,14-16,18,20,22H,4-9,12-13,17H2,1-3H3,(H,31,38)(H,33,37)(H,34,35).
What are the key properties of 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 3.93, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).