[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C21H24N4O3 — CID 146565174

IUPAC[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOCCNc1c(-c2ccc(C(=O)N3CCOCC3)cc2)cnc2[nH]ccc12
InChIInChI=1S/C21H24N4O3/c1-27-11-8-22-19-17-6-7-23-20(17)24-14-18(19)15-2-4-16(5-3-15)21(26)25-9-12-28-13-10-25/h2-7,14H,8-13H2,1H3,(H2,22,23,24)
InChIKeyPEJGNNYWPUQHIM-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.76
Rot. Bonds6

About [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 146565174) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID146565174
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOCCNc1c(-c2ccc(C(=O)N3CCOCC3)cc2)cnc2[nH]ccc12
InChIInChI=1S/C21H24N4O3/c1-27-11-8-22-19-17-6-7-23-20(17)24-14-18(19)15-2-4-16(5-3-15)21(26)25-9-12-28-13-10-25/h2-7,14H,8-13H2,1H3,(H2,22,23,24)
InChIKeyPEJGNNYWPUQHIM-UHFFFAOYSA-N
XLogP2.76
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146568076
morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000365
[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 146568010
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109299603
6-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
CID 145081735
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249905
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
[4-[[5-chloro-4-(2-methoxyethylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539261
[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 60600662

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 146565174) is [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COCCNc1c(-c2ccc(C(=O)N3CCOCC3)cc2)cnc2[nH]ccc12.
What is the InChIKey of [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is PEJGNNYWPUQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-11-8-22-19-17-6-7-23-20(17)24-14-18(19)15-2-4-16(5-3-15)21(26)25-9-12-28-13-10-25/h2-7,14H,8-13H2,1H3,(H2,22,23,24).
What are the key properties of [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 380.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 146565174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).