4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine

C18H23N5 — CID 163356545

IUPAC4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CC(N3CC4CCCC4C3)C2)c2ccncc2n1
InChIInChI=1S/C18H23N5/c1-12-20-17-7-19-6-5-16(17)18(21-12)23-10-15(11-23)22-8-13-3-2-4-14(13)9-22/h5-7,13-15H,2-4,8-11H2,1H3
InChIKeyNGKKPGCCFHLZOK-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.25
Rot. Bonds2

About 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine

4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine (PubChem CID 163356545) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
PubChem CID163356545
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CC(N3CC4CCCC4C3)C2)c2ccncc2n1
InChIInChI=1S/C18H23N5/c1-12-20-17-7-19-6-5-16(17)18(21-12)23-10-15(11-23)22-8-13-3-2-4-14(13)9-22/h5-7,13-15H,2-4,8-11H2,1H3
InChIKeyNGKKPGCCFHLZOK-UHFFFAOYSA-N
XLogP2.25
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine (CID 163356545) is 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine is Cc1nc(N2CC(N3CC4CCCC4C3)C2)c2ccncc2n1.
What is the InChIKey of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The InChIKey is NGKKPGCCFHLZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-12-20-17-7-19-6-5-16(17)18(21-12)23-10-15(11-23)22-8-13-3-2-4-14(13)9-22/h5-7,13-15H,2-4,8-11H2,1H3.
What are the key properties of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine has a molecular weight of 309.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163356545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).