[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H21F2N5O3 — CID 177297377

IUPAC[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)(O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C22H21F2N5O3/c1-22(2,31)21-28-16(19(23)24)18(32-21)20(30)29-8-7-13-15(26-10-25-13)17(29)14-9-11-5-3-4-6-12(11)27-14/h3-6,9-10,17,19,27,31H,7-8H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyUWSPPXONKZLPDZ-KRWDZBQOSA-N
MW441.44 g/mol
LogP3.83
Rot. Bonds4

About [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 177297377) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID177297377
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)(O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C22H21F2N5O3/c1-22(2,31)21-28-16(19(23)24)18(32-21)20(30)29-8-7-13-15(26-10-25-13)17(29)14-9-11-5-3-4-6-12(11)27-14/h3-6,9-10,17,19,27,31H,7-8H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyUWSPPXONKZLPDZ-KRWDZBQOSA-N
XLogP3.83
TPSA111.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-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 [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 177297377) is [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(C)(O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3[nH]2)o1.
What is the InChIKey of [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is UWSPPXONKZLPDZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c1-22(2,31)21-28-16(19(23)24)18(32-21)20(30)29-8-7-13-15(26-10-25-13)17(29)14-9-11-5-3-4-6-12(11)27-14/h3-6,9-10,17,19,27,31H,7-8H2,1-2H3,(H,25,26)/t17-/m0/s1.
What are the key properties of [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 441.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 177297377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).