acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one

C21H22F3N5O2 — CID 144713558

IUPACacetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC#N.CC(O)(c1ccc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O2.C2H3N/c1-18(28,19(20,21)22)12-4-6-13(7-5-12)24-16-15-14(8-9-23-17(15)27)26(25-16)10-11-2-3-11;1-2-3/h4-9,11,28H,2-3,10H2,1H3,(H,23,27)(H,24,25);1H3
InChIKeyQZEYOKNQZVGLNG-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.18
Rot. Bonds5

About acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one

acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 144713558) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Nameacetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID144713558
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Nameacetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC#N.CC(O)(c1ccc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O2.C2H3N/c1-18(28,19(20,21)22)12-4-6-13(7-5-12)24-16-15-14(8-9-23-17(15)27)26(25-16)10-11-2-3-11;1-2-3/h4-9,11,28H,2-3,10H2,1H3,(H,23,27)(H,24,25);1H3
InChIKeyQZEYOKNQZVGLNG-UHFFFAOYSA-N
XLogP4.18
TPSA106.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-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

(3R)-3-[4-oxo-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 137298354
1-[(3R)-oxan-3-yl]-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288520
3-[4-[1-(tert-butylamino)-2,2,2-trifluoroethyl]-3-fluoroanilino]-1-(cyclopropylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713630
3-[4-[1-(tert-butylamino)-2,2,2-trifluoroethyl]-3-fluoroanilino]-1-(cyclopropylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one;formonitrile
CID 144713629
acetonitrile;1-(cyclopropylmethyl)-3-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3-methylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713622
1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310294
ethyl 2-[[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonyl-methylamino]-2-methylpropanoate
CID 137310314
1-(cyclopropylmethyl)-3-(2,3-dihydro-1-benzofuran-5-ylamino)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310287
1-(cyclopropylmethyl)-3-[4-[(2S)-2-methylmorpholin-4-yl]sulfonylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310263
2-tert-butyl-4-ethyl-4-[4-oxo-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 138731620
tert-butyl 1-[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonylpyrrolidine-3-carboxylate
CID 137310247
3-[4-oxo-3-[4-(1,1,1-trifluoro-2-methoxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]oxane-4-carbonitrile
CID 136639280

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 144713558) is acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one is CC#N.CC(O)(c1ccc(Nc2nn(CC3CC3)c3cc[nH]c(=O)c23)cc1)C(F)(F)F.
What is the InChIKey of acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is QZEYOKNQZVGLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C2H3N/c1-18(28,19(20,21)22)12-4-6-13(7-5-12)24-16-15-14(8-9-23-17(15)27)26(25-16)10-11-2-3-11;1-2-3/h4-9,11,28H,2-3,10H2,1H3,(H,23,27)(H,24,25);1H3.
What are the key properties of acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 433.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 144713558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).