2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide

C33H38N4O4 — CID 171108599

IUPAC2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(-c3cccn(C4CC4)c3=O)cc2cc1C(=O)NC1CCC(COCc2ccccc2)CC1
InChIInChI=1S/C33H38N4O4/c1-22(2)41-31-18-29-25(19-37(35-29)30-9-6-16-36(33(30)39)27-14-15-27)17-28(31)32(38)34-26-12-10-24(11-13-26)21-40-20-23-7-4-3-5-8-23/h3-9,16-19,22,24,26-27H,10-15,20-21H2,1-2H3,(H,34,38)
InChIKeyOSRUEJWYUJAGOK-UHFFFAOYSA-N
MW554.69 g/mol
LogP5.81
Rot. Bonds10

About 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide

2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 171108599) has the molecular formula C33H38N4O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID171108599
Molecular FormulaC33H38N4O4
Molecular Weight554.69 g/mol
Exact Mass554.29
IUPAC Name2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(-c3cccn(C4CC4)c3=O)cc2cc1C(=O)NC1CCC(COCc2ccccc2)CC1
InChIInChI=1S/C33H38N4O4/c1-22(2)41-31-18-29-25(19-37(35-29)30-9-6-16-36(33(30)39)27-14-15-27)17-28(31)32(38)34-26-12-10-24(11-13-26)21-40-20-23-7-4-3-5-8-23/h3-9,16-19,22,24,26-27H,10-15,20-21H2,1-2H3,(H,34,38)
InChIKeyOSRUEJWYUJAGOK-UHFFFAOYSA-N
XLogP5.81
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-2-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 171108572
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
CID 166472245
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
CID 177065400
1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
CID 175548939
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
CID 164554585
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-heptan-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 175946263
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 164554811
[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]methyl N-methylcarbamate
CID 169132492
N-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-methyl-4-oxo-3-(phenylmethoxymethyl)-5-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 122592328
6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide
CID 164554527

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide (CID 171108599) is 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(-c3cccn(C4CC4)c3=O)cc2cc1C(=O)NC1CCC(COCc2ccccc2)CC1.
What is the InChIKey of 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is OSRUEJWYUJAGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4/c1-22(2)41-31-18-29-25(19-37(35-29)30-9-6-16-36(33(30)39)27-14-15-27)17-28(31)32(38)34-26-12-10-24(11-13-26)21-40-20-23-7-4-3-5-8-23/h3-9,16-19,22,24,26-27H,10-15,20-21H2,1-2H3,(H,34,38).
What are the key properties of 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide?
2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 554.69 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-oxo-3-pyridinyl)-N-[4-(phenylmethoxymethyl)cyclohexyl]-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 171108599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).