5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide

C25H26N6O2 — CID 146610083

IUPAC5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
SMILESC[C@H](CNC(=O)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)c1ccccc1
InChIInChI=1S/C25H26N6O2/c1-17(18-5-3-2-4-6-18)12-30-25(32)24-26-13-19(14-27-24)22-16-29-23-21(22)11-20(15-28-23)31-7-9-33-10-8-31/h2-6,11,13-17H,7-10,12H2,1H3,(H,28,29)(H,30,32)/t17-/m1/s1
InChIKeyBHLQAFOOQFCXHG-QGZVFWFLSA-N
MW442.52 g/mol
LogP3.39
Rot. Bonds6

About 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide

5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide (PubChem CID 146610083) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
PubChem CID146610083
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
SMILESC[C@H](CNC(=O)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)c1ccccc1
InChIInChI=1S/C25H26N6O2/c1-17(18-5-3-2-4-6-18)12-30-25(32)24-26-13-19(14-27-24)22-16-29-23-21(22)11-20(15-28-23)31-7-9-33-10-8-31/h2-6,11,13-17H,7-10,12H2,1H3,(H,28,29)(H,30,32)/t17-/m1/s1
InChIKeyBHLQAFOOQFCXHG-QGZVFWFLSA-N
XLogP3.39
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
CID 146610079
N-[2-(2-methylphenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570423
N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570418
5-[5-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1-phenylethyl)pyrimidine-2-carboxamide
CID 146570468
5-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610155
[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 146570463
N-[1-(1-iodo-2-methyl-2,3-dihydropyrrol-4-yl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 163794001
4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570466
4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570395
4-[3-[2-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570398
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 170009427
N-[(1S)-1-(3-methylphenyl)ethyl]-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 170408812

Frequently Asked Questions

What is the IUPAC name of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide (CID 146610083) is 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide is C[C@H](CNC(=O)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)c1ccccc1.
What is the InChIKey of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide?
The InChIKey is BHLQAFOOQFCXHG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17(18-5-3-2-4-6-18)12-30-25(32)24-26-13-19(14-27-24)22-16-29-23-21(22)11-20(15-28-23)31-7-9-33-10-8-31/h2-6,11,13-17H,7-10,12H2,1H3,(H,28,29)(H,30,32)/t17-/m1/s1.
What are the key properties of 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide?
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146610083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).