N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H26N4O2 — CID 135938918

IUPACN-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC3(c4ccccc4)CC3)c(C)c12
InChIInChI=1S/C22H26N4O2/c1-14-17(21(28)24-20-19(14)15(2)25-26(20)3)9-10-18(27)23-13-22(11-12-22)16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyQBYNIZDFHSZWMN-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.66
Rot. Bonds6

About N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 135938918) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID135938918
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC3(c4ccccc4)CC3)c(C)c12
InChIInChI=1S/C22H26N4O2/c1-14-17(21(28)24-20-19(14)15(2)25-26(20)3)9-10-18(27)23-13-22(11-12-22)16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyQBYNIZDFHSZWMN-UHFFFAOYSA-N
XLogP2.66
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135901411
N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136898177
methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate
CID 136844122
N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136899017
N-(4-fluoro-2-methoxyphenyl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136844124
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135994888
N-(5-butyl-1H-pyrazol-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136579663
5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136789627
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136528797
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622625
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 91960181
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 135938918) is N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC3(c4ccccc4)CC3)c(C)c12.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is QBYNIZDFHSZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-17(21(28)24-20-19(14)15(2)25-26(20)3)9-10-18(27)23-13-22(11-12-22)16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 135938918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).