[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C22H16FN5O2 — CID 177297367

IUPAC[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCc2[nH]cnc2[C@@H]1c1cc2cccc(F)c2o1
InChIInChI=1S/C22H16FN5O2/c23-15-5-3-4-13-10-18(30-21(13)15)20-19-16(24-12-25-19)7-9-27(20)22(29)14-11-26-28-8-2-1-6-17(14)28/h1-6,8,10-12,20H,7,9H2,(H,24,25)/t20-/m0/s1
InChIKeyBDUYCDKZEWTCEA-FQEVSTJZSA-N
MW401.40 g/mol
LogP3.73
Rot. Bonds2

About [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 177297367) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID177297367
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCc2[nH]cnc2[C@@H]1c1cc2cccc(F)c2o1
InChIInChI=1S/C22H16FN5O2/c23-15-5-3-4-13-10-18(30-21(13)15)20-19-16(24-12-25-19)7-9-27(20)22(29)14-11-26-28-8-2-1-6-17(14)28/h1-6,8,10-12,20H,7,9H2,(H,24,25)/t20-/m0/s1
InChIKeyBDUYCDKZEWTCEA-FQEVSTJZSA-N
XLogP3.73
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297466
[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3,4-thiadiazol-2-yl)methanone
CID 177297672
2-cyclopropyl-2,2-difluoro-1-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 169163627
[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
CID 169164327
[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 170333082
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 177297634
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170332289
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170332297
[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169163741
[(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 169163115
[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863234
[(4S)-4-(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 177297620

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 177297367) is [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCc2[nH]cnc2[C@@H]1c1cc2cccc(F)c2o1.
What is the InChIKey of [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is BDUYCDKZEWTCEA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H16FN5O2/c23-15-5-3-4-13-10-18(30-21(13)15)20-19-16(24-12-25-19)7-9-27(20)22(29)14-11-26-28-8-2-1-6-17(14)28/h1-6,8,10-12,20H,7,9H2,(H,24,25)/t20-/m0/s1.
What are the key properties of [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 401.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 177297367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).