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

C25H19FN8O2 — CID 170145370

IUPAC[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCn1cc(-c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5c(F)cccc5o4)cnn3c2)cn1
InChIInChI=1S/C25H19FN8O2/c1-32-11-15(9-29-32)14-5-6-19-16(10-30-34(19)12-14)25(35)33-8-7-18-22(28-13-27-18)23(33)24-31-21-17(26)3-2-4-20(21)36-24/h2-6,9-13,23H,7-8H2,1H3,(H,27,28)/t23-/m0/s1
InChIKeyMDXJCSWDAILKER-QHCPKHFHSA-N
MW482.48 g/mol
LogP3.53
Rot. Bonds3

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

[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 170145370) has the molecular formula C25H19FN8O2 and a molecular weight of 482.48 g/mol. Its IUPAC name is [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID170145370
Molecular FormulaC25H19FN8O2
Molecular Weight482.48 g/mol
Exact Mass482.16
IUPAC Name[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCn1cc(-c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5c(F)cccc5o4)cnn3c2)cn1
InChIInChI=1S/C25H19FN8O2/c1-32-11-15(9-29-32)14-5-6-19-16(10-30-34(19)12-14)25(35)33-8-7-18-22(28-13-27-18)23(33)24-31-21-17(26)3-2-4-20(21)36-24/h2-6,9-13,23H,7-8H2,1H3,(H,27,28)/t23-/m0/s1
InChIKeyMDXJCSWDAILKER-QHCPKHFHSA-N
XLogP3.53
TPSA110.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 170145370) is [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is Cn1cc(-c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5c(F)cccc5o4)cnn3c2)cn1.
What is the InChIKey of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is MDXJCSWDAILKER-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H19FN8O2/c1-32-11-15(9-29-32)14-5-6-19-16(10-30-34(19)12-14)25(35)33-8-7-18-22(28-13-27-18)23(33)24-31-21-17(26)3-2-4-20(21)36-24/h2-6,9-13,23H,7-8H2,1H3,(H,27,28)/t23-/m0/s1.
What are the key properties of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 482.48 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 170145370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).