N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

C18H22N4O3 — CID 136898177

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-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)N[C@@H](C)c3ccco3)c(C)c12
InChIInChI=1S/C18H22N4O3/c1-10-13(18(24)20-17-16(10)12(3)21-22(17)4)7-8-15(23)19-11(2)14-6-5-9-25-14/h5-6,9,11H,7-8H2,1-4H3,(H,19,23)(H,20,24)/t11-/m0/s1
InChIKeyLHCMQTUDJWZWER-NSHDSACASA-N
MW342.40 g/mol
LogP2.28
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 136898177) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID136898177
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-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)N[C@@H](C)c3ccco3)c(C)c12
InChIInChI=1S/C18H22N4O3/c1-10-13(18(24)20-17-16(10)12(3)21-22(17)4)7-8-15(23)19-11(2)14-6-5-9-25-14/h5-6,9,11H,7-8H2,1-4H3,(H,19,23)(H,20,24)/t11-/m0/s1
InChIKeyLHCMQTUDJWZWER-NSHDSACASA-N
XLogP2.28
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate
CID 136844122
N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135901411
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135938918
N-(4-fluoro-2-methoxyphenyl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136844124
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
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[1-(furan-2-yl)ethyl]propanamide
CID 17483724
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
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136528797
N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136924450

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 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) is N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-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)N[C@@H](C)c3ccco3)c(C)c12.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is LHCMQTUDJWZWER-NSHDSACASA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10-13(18(24)20-17-16(10)12(3)21-22(17)4)7-8-15(23)19-11(2)14-6-5-9-25-14/h5-6,9,11H,7-8H2,1-4H3,(H,19,23)(H,20,24)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 136898177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).