N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide

C26H31ClFN5O3 — CID 156630296

IUPACN-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
SMILESCOCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1
InChIInChI=1S/C26H31ClFN5O3/c1-14(2)25-19-9-16(10-21(28)24(19)32-33(25)3)18-11-22(29-12-20(18)27)31-26(35)15-6-5-7-17(8-15)30-23(34)13-36-4/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,30,34)(H,29,31,35)
InChIKeySVGQRDCSVDIDOX-UHFFFAOYSA-N
MW516.02 g/mol
LogP4.81
Rot. Bonds7

About N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 156630296) has the molecular formula C26H31ClFN5O3 and a molecular weight of 516.02 g/mol. Its IUPAC name is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
PubChem CID156630296
Molecular FormulaC26H31ClFN5O3
Molecular Weight516.02 g/mol
Exact Mass515.21
IUPAC NameN-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
SMILESCOCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1
InChIInChI=1S/C26H31ClFN5O3/c1-14(2)25-19-9-16(10-21(28)24(19)32-33(25)3)18-11-22(29-12-20(18)27)31-26(35)15-6-5-7-17(8-15)30-23(34)13-36-4/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,30,34)(H,29,31,35)
InChIKeySVGQRDCSVDIDOX-UHFFFAOYSA-N
XLogP4.81
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide
CID 156630268
N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide
CID 156630275
(1-methylpyrazol-3-yl) N-[(1R,3S)-3-[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl]-N-methylcarbamate
CID 166060490
cis-(1S,3R)-N-[5-chloro-4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[[2-(1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 168729926
cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
CID 167665423
cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 159967949
cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(1-methylazetidin-3-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 161182726
N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 167702912
cis-(1S,3R)-N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-3-[[(2S)-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
CID 175105950
3-acetamido-N-[5-chloro-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470627
cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
CID 159106648
(1R)-3-acetamido-N-[5-chloro-4-(6-hydroxy-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470617

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide (CID 156630296) is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide is COCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1.
What is the InChIKey of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is SVGQRDCSVDIDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN5O3/c1-14(2)25-19-9-16(10-21(28)24(19)32-33(25)3)18-11-22(29-12-20(18)27)31-26(35)15-6-5-7-17(8-15)30-23(34)13-36-4/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,30,34)(H,29,31,35).
What are the key properties of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide?
N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 516.02 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 156630296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).