1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone

C20H25N5O3 — CID 166817040

IUPAC1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
SMILESCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCC(O)C4)n2)CCC3)c1
InChIInChI=1S/C20H25N5O3/c1-24(12-18(27)25-9-7-13(26)11-25)20-15-4-3-5-16(15)22-19(23-20)17-10-14(28-2)6-8-21-17/h6,8,10,13,26H,3-5,7,9,11-12H2,1-2H3
InChIKeyTZQCKBYGSSHJHJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.07
Rot. Bonds5

About 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone

1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone (PubChem CID 166817040) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
PubChem CID166817040
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
SMILESCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCC(O)C4)n2)CCC3)c1
InChIInChI=1S/C20H25N5O3/c1-24(12-18(27)25-9-7-13(26)11-25)20-15-4-3-5-16(15)22-19(23-20)17-10-14(28-2)6-8-21-17/h6,8,10,13,26H,3-5,7,9,11-12H2,1-2H3
InChIKeyTZQCKBYGSSHJHJ-UHFFFAOYSA-N
XLogP1.07
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone with MolForge

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Related Compounds

2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone
CID 157030240
2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 170202506
2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 170202535
N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 170202495
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 166823569
[2-[4-[[2-[tert-butyl(methyl)amino]-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl] hypoiodite
CID 166817085
2-[methyl-[2-[4-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 166817049
2-[methyl-[2-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 157030050
N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029322
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone
CID 122572750
N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029687
N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029969

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone (CID 166817040) is 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone is COc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCC(O)C4)n2)CCC3)c1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone?
The InChIKey is TZQCKBYGSSHJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(12-18(27)25-9-7-13(26)11-25)20-15-4-3-5-16(15)22-19(23-20)17-10-14(28-2)6-8-21-17/h6,8,10,13,26H,3-5,7,9,11-12H2,1-2H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone?
1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone has a molecular weight of 383.45 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone is sourced from PubChem (CID 166817040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).