5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C29H33ClN6O2 — CID 166653421

IUPAC5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ccc2c(c1)N(CC1CCC(NC(=O)c3cc(Cl)cnc3C)CC1)C(=O)C21CN(c2ccn(C)n2)C1
InChIInChI=1S/C29H33ClN6O2/c1-18-4-9-24-25(12-18)36(28(38)29(24)16-35(17-29)26-10-11-34(3)33-26)15-20-5-7-22(8-6-20)32-27(37)23-13-21(30)14-31-19(23)2/h4,9-14,20,22H,5-8,15-17H2,1-3H3,(H,32,37)
InChIKeyUWTNIVPWXAFVDO-UHFFFAOYSA-N
MW533.08 g/mol
LogP4.18
Rot. Bonds5

About 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 166653421) has the molecular formula C29H33ClN6O2 and a molecular weight of 533.08 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID166653421
Molecular FormulaC29H33ClN6O2
Molecular Weight533.08 g/mol
Exact Mass532.24
IUPAC Name5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ccc2c(c1)N(CC1CCC(NC(=O)c3cc(Cl)cnc3C)CC1)C(=O)C21CN(c2ccn(C)n2)C1
InChIInChI=1S/C29H33ClN6O2/c1-18-4-9-24-25(12-18)36(28(38)29(24)16-35(17-29)26-10-11-34(3)33-26)15-20-5-7-22(8-6-20)32-27(37)23-13-21(30)14-31-19(23)2/h4,9-14,20,22H,5-8,15-17H2,1-3H3,(H,32,37)
InChIKeyUWTNIVPWXAFVDO-UHFFFAOYSA-N
XLogP4.18
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.08
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

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US11673893, Example 60
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6-Amino-3-(4''-chloro-4-(4-methyl-1H-pyrazol-1-yl)-1'',2''-dihydrospiro[cyclohexane-1,3''-pyrrolo[2,3-b]pyridin]-5''-yl)-2-fluoro-N,N-dimethylbenzamide
CID 166034656
N-[2-(5-Chloro-1H-indol-3-YL)ethyl]-4-({5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamide
CID 53003688
[2-[[5-Chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone
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N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-6-[1-(dimethylamino)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122672302
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CID 122672389
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CID 122672411
N-[(3R)-2-(2-chloro-4-fluorophenyl)-3-methyl-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122672415

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 166653421) is 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ccc2c(c1)N(CC1CCC(NC(=O)c3cc(Cl)cnc3C)CC1)C(=O)C21CN(c2ccn(C)n2)C1.
What is the InChIKey of 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is UWTNIVPWXAFVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN6O2/c1-18-4-9-24-25(12-18)36(28(38)29(24)16-35(17-29)26-10-11-34(3)33-26)15-20-5-7-22(8-6-20)32-27(37)23-13-21(30)14-31-19(23)2/h4,9-14,20,22H,5-8,15-17H2,1-3H3,(H,32,37).
What are the key properties of 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 533.08 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[4-[[6'-methyl-1-(1-methylpyrazol-3-yl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 166653421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).