[3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone

C17H13F3N4O2 — CID 164597743

IUPAC[3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cccc1C(=O)n1nc(N)c2ccc(C3CC3(F)F)nc21
InChIInChI=1S/C17H13F3N4O2/c1-26-13-8(3-2-4-11(13)18)16(25)24-15-9(14(21)23-24)5-6-12(22-15)10-7-17(10,19)20/h2-6,10H,7H2,1H3,(H2,21,23)
InChIKeyQCXJYNHCFDRQNB-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.97
Rot. Bonds3

About [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone

[3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone (PubChem CID 164597743) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
PubChem CID164597743
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name[3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cccc1C(=O)n1nc(N)c2ccc(C3CC3(F)F)nc21
InChIInChI=1S/C17H13F3N4O2/c1-26-13-8(3-2-4-11(13)18)16(25)24-15-9(14(21)23-24)5-6-12(22-15)10-7-17(10,19)20/h2-6,10H,7H2,1H3,(H2,21,23)
InChIKeyQCXJYNHCFDRQNB-UHFFFAOYSA-N
XLogP2.97
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
CID 169227035
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 134328250
(1R,2R,4S)-2-benzyl-7-(3-fluoro-2-methoxybenzoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146045233
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide
CID 171477772
(3aR,6aR)-5-(3-fluoro-2-methoxybenzoyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133118603
2-[(3S)-1-(3-fluoro-2-methoxybenzoyl)pyrrolidin-3-yl]benzoic acid
CID 95722755
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone (CID 164597743) is [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone is COc1c(F)cccc1C(=O)n1nc(N)c2ccc(C3CC3(F)F)nc21.
What is the InChIKey of [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
The InChIKey is QCXJYNHCFDRQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-26-13-8(3-2-4-11(13)18)16(25)24-15-9(14(21)23-24)5-6-12(22-15)10-7-17(10,19)20/h2-6,10H,7H2,1H3,(H2,21,23).
What are the key properties of [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
[3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone has a molecular weight of 362.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 164597743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).