[2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C19H14F3N5O2 — CID 169163763

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1F
InChIInChI=1S/C19H14F3N5O2/c20-14-10-3-1-2-4-13(10)29-17(14)16-15-11(23-9-24-15)6-8-26(16)18(28)12-5-7-25-27(12)19(21)22/h1-5,7,9,16,19H,6,8H2,(H,23,24)/t16-/m1/s1
InChIKeyJCFGIFMPBYIPEN-MRXNPFEDSA-N
MW401.35 g/mol
LogP3.67
Rot. Bonds3

About [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169163763) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169163763
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1F
InChIInChI=1S/C19H14F3N5O2/c20-14-10-3-1-2-4-13(10)29-17(14)16-15-11(23-9-24-15)6-8-26(16)18(28)12-5-7-25-27(12)19(21)22/h1-5,7,9,16,19H,6,8H2,(H,23,24)/t16-/m1/s1
InChIKeyJCFGIFMPBYIPEN-MRXNPFEDSA-N
XLogP3.67
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169164360
[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169164368
[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169163934
[(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169163762
(2-propan-2-ylpyrazol-3-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333490
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164097
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169164291
[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164362
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164442
[2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170387294
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163860
[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 177297459

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169163763) is [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1ccnn1C(F)F)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1F.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is JCFGIFMPBYIPEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c20-14-10-3-1-2-4-13(10)29-17(14)16-15-11(23-9-24-15)6-8-26(16)18(28)12-5-7-25-27(12)19(21)22/h1-5,7,9,16,19H,6,8H2,(H,23,24)/t16-/m1/s1.
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 401.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169163763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).