1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one

C15H14FN5O — CID 137310294

IUPAC1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1c(Nc1ccnc(F)c1)nn2CC1CC1
InChIInChI=1S/C15H14FN5O/c16-12-7-10(3-5-17-12)19-14-13-11(4-6-18-15(13)22)21(20-14)8-9-1-2-9/h3-7,9H,1-2,8H2,(H,18,22)(H,17,19,20)
InChIKeyBFXBXMMPGWOWII-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.41
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one

1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137310294) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137310294
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1c(Nc1ccnc(F)c1)nn2CC1CC1
InChIInChI=1S/C15H14FN5O/c16-12-7-10(3-5-17-12)19-14-13-11(4-6-18-15(13)22)21(20-14)8-9-1-2-9/h3-7,9H,1-2,8H2,(H,18,22)(H,17,19,20)
InChIKeyBFXBXMMPGWOWII-UHFFFAOYSA-N
XLogP2.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-3-(2,3-dihydro-1-benzofuran-5-ylamino)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310287
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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713558
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-[3-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310321
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
1-(cyclopropylmethyl)-3-[4-[(2S)-2-methylmorpholin-4-yl]sulfonylanilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310263
ethyl 2-[[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonyl-methylamino]-2-methylpropanoate
CID 137310314
tert-butyl 1-[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonylpyrrolidine-3-carboxylate
CID 137310247
cis-(1S,2S)-2-[3-[[2-(cyclopropylmethyl)-1,1-dioxo-3H-1,2-benzothiazol-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 136950712
(1S,2S,5R)-2-[3-(4-chloro-3-fluoroanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]-5-[(dimethylamino)methyl]cyclohexane-1-carbonitrile
CID 144713143

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137310294) is 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one is O=c1[nH]ccc2c1c(Nc1ccnc(F)c1)nn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is BFXBXMMPGWOWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-12-7-10(3-5-17-12)19-14-13-11(4-6-18-15(13)22)21(20-14)8-9-1-2-9/h3-7,9H,1-2,8H2,(H,18,22)(H,17,19,20).
What are the key properties of 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 299.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137310294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).