N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C24H23N5O3 — CID 138572654

IUPACN-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESN#CC1COCCN1C(=O)Cc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
InChIInChI=1S/C24H23N5O3/c25-13-18-14-32-10-9-29(18)22(30)11-15-1-3-16(4-2-15)20-12-21(28-24(31)17-5-6-17)27-23-19(20)7-8-26-23/h1-4,7-8,12,17-18H,5-6,9-11,14H2,(H2,26,27,28,31)
InChIKeyINOAWLCUBZRATP-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.87
Rot. Bonds5

About N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138572654) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138572654
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESN#CC1COCCN1C(=O)Cc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1
InChIInChI=1S/C24H23N5O3/c25-13-18-14-32-10-9-29(18)22(30)11-15-1-3-16(4-2-15)20-12-21(28-24(31)17-5-6-17)27-23-19(20)7-8-26-23/h1-4,7-8,12,17-18H,5-6,9-11,14H2,(H2,26,27,28,31)
InChIKeyINOAWLCUBZRATP-UHFFFAOYSA-N
XLogP2.87
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4-carbonyl)cyclohexane-1-carboxamide
CID 57541268
2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962844
[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 16124179
(1-phenylcyclopropyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42603038
3-(3-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-3-azabicyclo[3.1.0]hex-1-yl)-1H-pyrrolo[2, 3-b]pyridine
CID 44814425
[1-(4-fluorophenyl)cyclopropyl]-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
CID 46181099
[3-amino-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone
CID 60154734
[2-amino-4-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone
CID 60156103
2-methyl-2-phenyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 68495607
3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
CID 118438472
(E)-3-[3-(4-acetylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 142737578
N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 164617245

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138572654) is N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is N#CC1COCCN1C(=O)Cc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cc1.
What is the InChIKey of N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is INOAWLCUBZRATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c25-13-18-14-32-10-9-29(18)22(30)11-15-1-3-16(4-2-15)20-12-21(28-24(31)17-5-6-17)27-23-19(20)7-8-26-23/h1-4,7-8,12,17-18H,5-6,9-11,14H2,(H2,26,27,28,31).
What are the key properties of N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(3-cyanomorpholin-4-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138572654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).