1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one

C29H26N4O3 — CID 160576492

IUPAC1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C29H26N4O3/c34-23(17-24-18-28(32-36-24)21-4-2-1-3-5-21)16-20-6-8-22(9-7-20)27-19-25-26(31-27)10-11-30-29(25)33-12-14-35-15-13-33/h1-11,18-19,31H,12-17H2
InChIKeyACBPBIBVJZNZFC-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.08
Rot. Bonds7

About 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one

1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one (PubChem CID 160576492) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one
PubChem CID160576492
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C29H26N4O3/c34-23(17-24-18-28(32-36-24)21-4-2-1-3-5-21)16-20-6-8-22(9-7-20)27-19-25-26(31-27)10-11-30-29(25)33-12-14-35-15-13-33/h1-11,18-19,31H,12-17H2
InChIKeyACBPBIBVJZNZFC-UHFFFAOYSA-N
XLogP5.08
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one with MolForge

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Related Compounds

N-[1-[2-fluoro-6-[3-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-2-oxopropyl]-4-pyridinyl]azetidin-3-yl]prop-2-enamide
CID 158821841
2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 163751773
1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one
CID 159886432
1-[4-[(1S)-2,2,2-trifluoro-1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)anilino]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 172623414
N-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-4-[[3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
CID 174225594
1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-[4-[3-(pent-1-en-3-yn-2-ylamino)piperidin-1-yl]-2-pyridinyl]propan-2-one
CID 160663451
N-methyl-3-morpholin-4-yl-5-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 135108657
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42454719
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
N-methyl-2-morpholin-4-yl-N-[(4-phenylphenyl)methyl]pyridine-3-carboxamide
CID 46591412
1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride
CID 67629387
2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
CID 58585937

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one?
The IUPAC name of 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one (CID 160576492) is 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one.
What is the SMILES notation for 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one?
The canonical SMILES for 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one is O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one?
The InChIKey is ACBPBIBVJZNZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c34-23(17-24-18-28(32-36-24)21-4-2-1-3-5-21)16-20-6-8-22(9-7-20)27-19-25-26(31-27)10-11-30-29(25)33-12-14-35-15-13-33/h1-11,18-19,31H,12-17H2.
What are the key properties of 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one?
1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one has a molecular weight of 478.55 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-phenyl-1,2-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 160576492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).