acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one

C24H27FN6O2 — CID 144713622

IUPACacetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC#N.Cc1cc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C22H24FN5O2.C2H3N/c1-13-10-16(4-5-17(13)22(30)27-9-7-15(23)12-27)25-20-19-18(6-8-24-21(19)29)28(26-20)11-14-2-3-14;1-2-3/h4-6,8,10,14-15H,2-3,7,9,11-12H2,1H3,(H,24,29)(H,25,26);1H3/t15-;/m0./s1
InChIKeyDYQSSRBGMXAEJQ-RSAXXLAASA-N
MW450.52 g/mol
LogP3.90
Rot. Bonds5

About acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one

acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 144713622) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Nameacetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID144713622
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Nameacetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC#N.Cc1cc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C22H24FN5O2.C2H3N/c1-13-10-16(4-5-17(13)22(30)27-9-7-15(23)12-27)25-20-19-18(6-8-24-21(19)29)28(26-20)11-14-2-3-14;1-2-3/h4-6,8,10,14-15H,2-3,7,9,11-12H2,1H3,(H,24,29)(H,25,26);1H3/t15-;/m0./s1
InChIKeyDYQSSRBGMXAEJQ-RSAXXLAASA-N
XLogP3.90
TPSA106.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-3-[3-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310321
(3S)-3-cyclopropyl-3-[3-[4-(3-fluoroazetidine-1-carbonyl)-3-methylanilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile
CID 136929945
4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 137310286
acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713558
(3S)-3-[3-[4-(azepane-1-carbonyl)-3-methylanilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]-3-cyclopropylpropanenitrile
CID 136929957
(3S)-3-cyclopropyl-3-[3-[3-methyl-4-(piperidine-1-carbonyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile
CID 137310289
1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145906
cis-(1R,2R)-4,4-difluoro-2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopentane-1-carbonitrile
CID 136950880
2-[(1R,2R)-2-fluoro-1-[3-[3-methyl-4-(morpholine-4-carbonyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]acetonitrile
CID 137169332
2-[2-fluoro-1-[3-[3-methyl-4-(thiomorpholine-4-carbonyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]acetonitrile
CID 136639188
3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-(oxan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288546
4-[[1-(2-cyano-1-cyclopropylethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methylbenzoic acid
CID 136639083

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 144713622) is acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one is CC#N.Cc1cc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CC[C@H](F)C1.
What is the InChIKey of acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is DYQSSRBGMXAEJQ-RSAXXLAASA-N. The full InChI is InChI=1S/C22H24FN5O2.C2H3N/c1-13-10-16(4-5-17(13)22(30)27-9-7-15(23)12-27)25-20-19-18(6-8-24-21(19)29)28(26-20)11-14-2-3-14;1-2-3/h4-6,8,10,14-15H,2-3,7,9,11-12H2,1H3,(H,24,29)(H,25,26);1H3/t15-;/m0./s1.
What are the key properties of acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 450.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 144713622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).