[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone

C26H26N6O2 — CID 146570463

IUPAC[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C26H26N6O2/c33-26(32-8-4-7-23(32)18-5-2-1-3-6-18)25-27-14-19(15-28-25)22-17-30-24-21(22)13-20(16-29-24)31-9-11-34-12-10-31/h1-3,5-6,13-17,23H,4,7-12H2,(H,29,30)/t23-/m1/s1
InChIKeyDRYXPEBRHVACRS-HSZRJFAPSA-N
MW454.53 g/mol
LogP3.83
Rot. Bonds4

About [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone

[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 146570463) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
PubChem CID146570463
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C26H26N6O2/c33-26(32-8-4-7-23(32)18-5-2-1-3-6-18)25-27-14-19(15-28-25)22-17-30-24-21(22)13-20(16-29-24)31-9-11-34-12-10-31/h1-3,5-6,13-17,23H,4,7-12H2,(H,29,30)/t23-/m1/s1
InChIKeyDRYXPEBRHVACRS-HSZRJFAPSA-N
XLogP3.83
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 163491751
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
CID 146610079
[5-(3-methyl-5-morpholin-4-yl-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 163747072
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
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
N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570418
N-[2-(2-methylphenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570423
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
5-[5-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1-phenylethyl)pyrimidine-2-carboxamide
CID 146570468
4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570466
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

Frequently Asked Questions

What is the IUPAC name of [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone (CID 146570463) is [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone is O=C(c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The InChIKey is DRYXPEBRHVACRS-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N6O2/c33-26(32-8-4-7-23(32)18-5-2-1-3-6-18)25-27-14-19(15-28-25)22-17-30-24-21(22)13-20(16-29-24)31-9-11-34-12-10-31/h1-3,5-6,13-17,23H,4,7-12H2,(H,29,30)/t23-/m1/s1.
What are the key properties of [5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 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)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 146570463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).