[6-(4-cyclopropylpiperazin-1-yl)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]methanone

C28H27FN8O2 — CID 169163193

IUPAC[6-(4-cyclopropylpiperazin-1-yl)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]methanone
SMILESO=C(c1cnn2cc(N3CCN(C4CC4)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C28H27FN8O2/c29-17-1-6-24-22(13-17)33-27(39-24)26-25-21(30-16-31-25)7-8-36(26)28(38)20-14-32-37-15-19(4-5-23(20)37)35-11-9-34(10-12-35)18-2-3-18/h1,4-6,13-16,18,26H,2-3,7-12H2,(H,30,31)/t26-/m0/s1
InChIKeyODBYIBHVMYOMKR-SANMLTNESA-N
MW526.58 g/mol
LogP3.41
Rot. Bonds4

About [6-(4-cyclopropylpiperazin-1-yl)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]methanone

[6-(4-cyclopropylpiperazin-1-yl)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]methanone (PubChem CID 169163193) has the molecular formula C28H27FN8O2 and a molecular weight of 526.58 g/mol. Its IUPAC name is [6-(4-cyclopropylpiperazin-1-yl)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]methanone.

Molecular Properties

Compound Name[6-(4-cyclopropylpiperazin-1-yl)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]methanone
PubChem CID169163193
Molecular FormulaC28H27FN8O2
Molecular Weight526.58 g/mol
Exact Mass526.22
IUPAC Name[6-(4-cyclopropylpiperazin-1-yl)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]methanone
SMILESO=C(c1cnn2cc(N3CCN(C4CC4)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C28H27FN8O2/c29-17-1-6-24-22(13-17)33-27(39-24)26-25-21(30-16-31-25)7-8-36(26)28(38)20-14-32-37-15-19(4-5-23(20)37)35-11-9-34(10-12-35)18-2-3-18/h1,4-6,13-16,18,26H,2-3,7-12H2,(H,30,31)/t26-/m0/s1
InChIKeyODBYIBHVMYOMKR-SANMLTNESA-N
XLogP3.41
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-(4-cyclopropylpiperazin-1-yl)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]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclopropylpiperazin-1-yl)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]methanone?
The IUPAC name of [6-(4-cyclopropylpiperazin-1-yl)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]methanone (CID 169163193) is [6-(4-cyclopropylpiperazin-1-yl)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]methanone.
What is the SMILES notation for [6-(4-cyclopropylpiperazin-1-yl)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]methanone?
The canonical SMILES for [6-(4-cyclopropylpiperazin-1-yl)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]methanone is O=C(c1cnn2cc(N3CCN(C4CC4)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1.
What is the InChIKey of [6-(4-cyclopropylpiperazin-1-yl)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]methanone?
The InChIKey is ODBYIBHVMYOMKR-SANMLTNESA-N. The full InChI is InChI=1S/C28H27FN8O2/c29-17-1-6-24-22(13-17)33-27(39-24)26-25-21(30-16-31-25)7-8-36(26)28(38)20-14-32-37-15-19(4-5-23(20)37)35-11-9-34(10-12-35)18-2-3-18/h1,4-6,13-16,18,26H,2-3,7-12H2,(H,30,31)/t26-/m0/s1.
What are the key properties of [6-(4-cyclopropylpiperazin-1-yl)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]methanone?
[6-(4-cyclopropylpiperazin-1-yl)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]methanone has a molecular weight of 526.58 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyclopropylpiperazin-1-yl)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]methanone is sourced from PubChem (CID 169163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).