[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone

C21H15FN8O2 — CID 169165968

IUPAC[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(F)cccn2n1
InChIInChI=1S/C21H15FN8O2/c22-12-2-1-6-30-16(12)8-14(28-30)19-18-13(26-11-27-18)3-7-29(19)21(31)17-10-25-20(32-17)15-9-23-4-5-24-15/h1-2,4-6,8-11,19H,3,7H2,(H,26,27)/t19-/m1/s1
InChIKeyQMWFJFIMTHUAAD-LJQANCHMSA-N
MW430.40 g/mol
LogP2.43
Rot. Bonds3

About [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone

[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 169165968) has the molecular formula C21H15FN8O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID169165968
Molecular FormulaC21H15FN8O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC Name[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(F)cccn2n1
InChIInChI=1S/C21H15FN8O2/c22-12-2-1-6-30-16(12)8-14(28-30)19-18-13(26-11-27-18)3-7-29(19)21(31)17-10-25-20(32-17)15-9-23-4-5-24-15/h1-2,4-6,8-11,19H,3,7H2,(H,26,27)/t19-/m1/s1
InChIKeyQMWFJFIMTHUAAD-LJQANCHMSA-N
XLogP2.43
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-pyrazin-2-yl-1,3-oxazol-5-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165537
[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone
CID 169164729
[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170334496
[2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-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 169166354
[2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165428
cyclopropyl-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332751
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 170333525
[(4R)-4-[4-(difluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169166014
cyclobutyl-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165744
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(4-methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 174213735
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169308401
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 170332950

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone (CID 169165968) is [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone is O=C(c1cnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(F)cccn2n1.
What is the InChIKey of [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is QMWFJFIMTHUAAD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H15FN8O2/c22-12-2-1-6-30-16(12)8-14(28-30)19-18-13(26-11-27-18)3-7-29(19)21(31)17-10-25-20(32-17)15-9-23-4-5-24-15/h1-2,4-6,8-11,19H,3,7H2,(H,26,27)/t19-/m1/s1.
What are the key properties of [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone?
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 430.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 169165968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).