[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

C22H17FN6O2 — CID 170144965

IUPAC[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2c1
InChIInChI=1S/C22H17FN6O2/c1-12-2-4-17-14(9-26-29(17)10-12)22(30)28-7-6-15-19(25-11-24-15)20(28)21-27-16-8-13(23)3-5-18(16)31-21/h2-5,8-11,20H,6-7H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeySXVCNYKLWPGTMY-FQEVSTJZSA-N
MW416.42 g/mol
LogP3.43
Rot. Bonds2

About [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 170144965) has the molecular formula C22H17FN6O2 and a molecular weight of 416.42 g/mol. Its IUPAC name is [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID170144965
Molecular FormulaC22H17FN6O2
Molecular Weight416.42 g/mol
Exact Mass416.14
IUPAC Name[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2c1
InChIInChI=1S/C22H17FN6O2/c1-12-2-4-17-14(9-26-29(17)10-12)22(30)28-7-6-15-19(25-11-24-15)20(28)21-27-16-8-13(23)3-5-18(16)31-21/h2-5,8-11,20H,6-7H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeySXVCNYKLWPGTMY-FQEVSTJZSA-N
XLogP3.43
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

[(4S)-4-(5-fluoro-1,3-benzoxazol-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 169162913
[4-bromo-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163147
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163258
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169162885
[(4R)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169166417
[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170333529
[4-(difluoromethyl)-2-(methoxymethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169162782
(6-methylpyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165858
[4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170145407
[4-(difluoromethyl)-2-pyrazin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169162803
[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol
CID 169163499
[(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

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 170144965) is [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is Cc1ccc2c(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2c1.
What is the InChIKey of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is SXVCNYKLWPGTMY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17FN6O2/c1-12-2-4-17-14(9-26-29(17)10-12)22(30)28-7-6-15-19(25-11-24-15)20(28)21-27-16-8-13(23)3-5-18(16)31-21/h2-5,8-11,20H,6-7H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 416.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 170144965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).