morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone

C27H28N4O2 — CID 177244772

IUPACmorpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
SMILESO=C(c1cn(CCCN(c2ccccc2)c2ccccc2)c2cccnc12)N1CCOCC1
InChIInChI=1S/C27H28N4O2/c32-27(29-17-19-33-20-18-29)24-21-30(25-13-7-14-28-26(24)25)15-8-16-31(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-7,9-14,21H,8,15-20H2
InChIKeyQIVVBWGXODKRIL-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.74
Rot. Bonds7

About morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone

morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone (PubChem CID 177244772) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
PubChem CID177244772
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Namemorpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
SMILESO=C(c1cn(CCCN(c2ccccc2)c2ccccc2)c2cccnc12)N1CCOCC1
InChIInChI=1S/C27H28N4O2/c32-27(29-17-19-33-20-18-29)24-21-30(25-13-7-14-28-26(24)25)15-8-16-31(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-7,9-14,21H,8,15-20H2
InChIKeyQIVVBWGXODKRIL-UHFFFAOYSA-N
XLogP4.74
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244796
[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844
morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244714
[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244937
N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
CID 177244839
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
CID 177244912

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone (CID 177244772) is morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone is O=C(c1cn(CCCN(c2ccccc2)c2ccccc2)c2cccnc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
The InChIKey is QIVVBWGXODKRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-27(29-17-19-33-20-18-29)24-21-30(25-13-7-14-28-26(24)25)15-8-16-31(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-7,9-14,21H,8,15-20H2.
What are the key properties of morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone has a molecular weight of 440.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone is sourced from PubChem (CID 177244772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).