N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C26H27ClN4O2 — CID 20961304

IUPACN-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCc2cccc(Cl)c2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C26H27ClN4O2/c1-4-30-25-24(18(3)29-31(25)21-11-6-5-7-12-21)17(2)22(26(30)33)13-14-23(32)28-16-19-9-8-10-20(27)15-19/h5-12,15H,4,13-14,16H2,1-3H3,(H,28,32)
InChIKeyOIVKTLOHXMQYCK-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.73
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 20961304) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID20961304
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCc2cccc(Cl)c2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C26H27ClN4O2/c1-4-30-25-24(18(3)29-31(25)21-11-6-5-7-12-21)17(2)22(26(30)33)13-14-23(32)28-16-19-9-8-10-20(27)15-19/h5-12,15H,4,13-14,16H2,1-3H3,(H,28,32)
InChIKeyOIVKTLOHXMQYCK-UHFFFAOYSA-N
XLogP4.73
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961356
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 20961306
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9427471
N-(1,3-benzodioxol-5-ylmethyl)-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961331
N-(3,4-difluorophenyl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961278
N-[(4-chlorophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346260
N-(1,3-benzodioxol-5-yl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961270
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(3-methylbutyl)propanamide
CID 20961228
3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide
CID 20961209
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 20961231
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961213

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 20961304) is N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is CCn1c(=O)c(CCC(=O)NCc2cccc(Cl)c2)c(C)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is OIVKTLOHXMQYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-4-30-25-24(18(3)29-31(25)21-11-6-5-7-12-21)17(2)22(26(30)33)13-14-23(32)28-16-19-9-8-10-20(27)15-19/h5-12,15H,4,13-14,16H2,1-3H3,(H,28,32).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 462.98 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 20961304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).