[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

C27H30N6O2 — CID 163747072

IUPAC[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
SMILESCC1(c2cnc(C(=O)N3CCC[C@@H]3c3ccccc3)nc2)CNc2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H30N6O2/c1-27(18-31-24-22(27)14-21(17-30-24)32-10-12-35-13-11-32)20-15-28-25(29-16-20)26(34)33-9-5-8-23(33)19-6-3-2-4-7-19/h2-4,6-7,14-17,23H,5,8-13,18H2,1H3,(H,30,31)/t23-,27?/m1/s1
InChIKeyLMTWGYWNWYVCES-BRIWLPCBSA-N
MW470.58 g/mol
LogP3.42
Rot. Bonds4

About [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

[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 (PubChem CID 163747072) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID163747072
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name[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
SMILESCC1(c2cnc(C(=O)N3CCC[C@@H]3c3ccccc3)nc2)CNc2ncc(N3CCOCC3)cc21
InChIInChI=1S/C27H30N6O2/c1-27(18-31-24-22(27)14-21(17-30-24)32-10-12-35-13-11-32)20-15-28-25(29-16-20)26(34)33-9-5-8-23(33)19-6-3-2-4-7-19/h2-4,6-7,14-17,23H,5,8-13,18H2,1H3,(H,30,31)/t23-,27?/m1/s1
InChIKeyLMTWGYWNWYVCES-BRIWLPCBSA-N
XLogP3.42
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Related Compounds

[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 146570463
[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 163491751
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102541564
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 102777441
(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 63121925
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC1(c2cnc(C(=O)N3CCC[C@@H]3c3ccccc3)nc2)CNc2ncc(N3CCOCC3)cc21.
What is the InChIKey of [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?
The InChIKey is LMTWGYWNWYVCES-BRIWLPCBSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-27(18-31-24-22(27)14-21(17-30-24)32-10-12-35-13-11-32)20-15-28-25(29-16-20)26(34)33-9-5-8-23(33)19-6-3-2-4-7-19/h2-4,6-7,14-17,23H,5,8-13,18H2,1H3,(H,30,31)/t23-,27?/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 470.58 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 163747072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).