[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone

C27H27N5O2 — CID 163491751

IUPAC[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C27H27N5O2/c33-27(32-10-4-7-25(32)19-5-2-1-3-6-19)26-29-16-20(17-30-26)22-8-9-24-23(22)15-21(18-28-24)31-11-13-34-14-12-31/h1-3,5-6,8,15-18,25H,4,7,9-14H2/t25-/m1/s1
InChIKeyCNFZBFYMDAXVPO-RUZDIDTESA-N
MW453.55 g/mol
LogP3.67
Rot. Bonds4

About [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone

[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 163491751) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
PubChem CID163491751
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C27H27N5O2/c33-27(32-10-4-7-25(32)19-5-2-1-3-6-19)26-29-16-20(17-30-26)22-8-9-24-23(22)15-21(18-28-24)31-11-13-34-14-12-31/h1-3,5-6,8,15-18,25H,4,7,9-14H2/t25-/m1/s1
InChIKeyCNFZBFYMDAXVPO-RUZDIDTESA-N
XLogP3.67
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-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
4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine
CID 163592421
N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
CID 163793096
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 51934177
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
CID 157089905
[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 159336770
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092

Frequently Asked Questions

What is the IUPAC name of [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone (CID 163491751) is [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone is O=C(c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The InChIKey is CNFZBFYMDAXVPO-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27N5O2/c33-27(32-10-4-7-25(32)19-5-2-1-3-6-19)26-29-16-20(17-30-26)22-8-9-24-23(22)15-21(18-28-24)31-11-13-34-14-12-31/h1-3,5-6,8,15-18,25H,4,7,9-14H2/t25-/m1/s1.
What are the key properties of [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 453.55 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 163491751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).