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

C21H20F3N5O2 — CID 169164033

IUPAC[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C(F)F)cc1C(=O)N1CCc2[nH]cnc2[C@@H]1C1Oc2ccccc2C1(C)F
InChIInChI=1S/C21H20F3N5O2/c1-21(24)11-5-3-4-6-15(11)31-18(21)17-16-12(25-10-26-16)7-8-29(17)20(30)14-9-13(19(22)23)27-28(14)2/h3-6,9-10,17-19H,7-8H2,1-2H3,(H,25,26)/t17-,18?,21?/m1/s1
InChIKeyMQXUAVSTUIIJEW-MPQSDHOMSA-N
MW431.42 g/mol
LogP3.47
Rot. Bonds3

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

[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169164033) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169164033
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C(F)F)cc1C(=O)N1CCc2[nH]cnc2[C@@H]1C1Oc2ccccc2C1(C)F
InChIInChI=1S/C21H20F3N5O2/c1-21(24)11-5-3-4-6-15(11)31-18(21)17-16-12(25-10-26-16)7-8-29(17)20(30)14-9-13(19(22)23)27-28(14)2/h3-6,9-10,17-19H,7-8H2,1-2H3,(H,25,26)/t17-,18?,21?/m1/s1
InChIKeyMQXUAVSTUIIJEW-MPQSDHOMSA-N
XLogP3.47
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165388
[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]-[(4S)-4-[7-(1-fluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170388962
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-chloro-1-methylpyrazol-5-yl)methanone
CID 177297654
[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863064
(3-amino-1-methylpyrazol-5-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333809
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155492890
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)methanone
CID 119067641
[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazol-3-yl]methanone
CID 169164964
(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
[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174145278
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
CID 169164175
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332935

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169164033) is [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1nc(C(F)F)cc1C(=O)N1CCc2[nH]cnc2[C@@H]1C1Oc2ccccc2C1(C)F.
What is the InChIKey of [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is MQXUAVSTUIIJEW-MPQSDHOMSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-21(24)11-5-3-4-6-15(11)31-18(21)17-16-12(25-10-26-16)7-8-29(17)20(30)14-9-13(19(22)23)27-28(14)2/h3-6,9-10,17-19H,7-8H2,1-2H3,(H,25,26)/t17-,18?,21?/m1/s1.
What are the key properties of [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 431.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(3-fluoro-3-methyl-2H-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169164033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).