2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one

C23H24ClN5O — CID 68943428

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)cc2cnc(NN3CC4CCCC4C3)nc2n1C1CC1
InChIInChI=1S/C23H24ClN5O/c24-18-6-4-14(5-7-18)20-10-17-11-25-23(26-21(17)29(22(20)30)19-8-9-19)27-28-12-15-2-1-3-16(15)13-28/h4-7,10-11,15-16,19H,1-3,8-9,12-13H2,(H,25,26,27)
InChIKeyOQTDUIZGYYNAIT-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.51
Rot. Bonds4

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 68943428) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one
PubChem CID68943428
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)cc2cnc(NN3CC4CCCC4C3)nc2n1C1CC1
InChIInChI=1S/C23H24ClN5O/c24-18-6-4-14(5-7-18)20-10-17-11-25-23(26-21(17)29(22(20)30)19-8-9-19)27-28-12-15-2-1-3-16(15)13-28/h4-7,10-11,15-16,19H,1-3,8-9,12-13H2,(H,25,26,27)
InChIKeyOQTDUIZGYYNAIT-UHFFFAOYSA-N
XLogP4.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one (CID 68943428) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one is O=c1c(-c2ccc(Cl)cc2)cc2cnc(NN3CC4CCCC4C3)nc2n1C1CC1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OQTDUIZGYYNAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c24-18-6-4-14(5-7-18)20-10-17-11-25-23(26-21(17)29(22(20)30)19-8-9-19)27-28-12-15-2-1-3-16(15)13-28/h4-7,10-11,15-16,19H,1-3,8-9,12-13H2,(H,25,26,27).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 421.93 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 68943428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).