N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

C27H29ClN4O2 — CID 20863666

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C
InChIInChI=1S/C27H29ClN4O2/c1-15-7-9-20(10-8-15)32-27-26(19(5)31-32)17(3)21(18(4)29-27)11-12-25(33)30-23-13-16(2)22(28)14-24(23)34-6/h7-10,13-14H,11-12H2,1-6H3,(H,30,33)
InChIKeyWRSBZQWUMKGFTC-UHFFFAOYSA-N
MW477.01 g/mol
LogP6.20
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 20863666) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID20863666
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C
InChIInChI=1S/C27H29ClN4O2/c1-15-7-9-20(10-8-15)32-27-26(19(5)31-32)17(3)21(18(4)29-27)11-12-25(33)30-23-13-16(2)22(28)14-24(23)34-6/h7-10,13-14H,11-12H2,1-6H3,(H,30,33)
InChIKeyWRSBZQWUMKGFTC-UHFFFAOYSA-N
XLogP6.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
N-(4-fluoro-2-methylphenyl)-3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796437
N-(3-fluoro-4-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603523
methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate
CID 23603527
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 23603939
3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 23604100
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide
CID 23603941
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
CID 50796213
3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94079737

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 20863666) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is WRSBZQWUMKGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-15-7-9-20(10-8-15)32-27-26(19(5)31-32)17(3)21(18(4)29-27)11-12-25(33)30-23-13-16(2)22(28)14-24(23)34-6/h7-10,13-14H,11-12H2,1-6H3,(H,30,33).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 477.01 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 20863666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).