1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol

C24H25N7O — CID 71577564

IUPAC1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol
SMILESNC1(c2ccc(-n3c(-c4ccccn4)nc4cnc(N5CCC(O)C5)nc43)cc2)CCC1
InChIInChI=1S/C24H25N7O/c25-24(10-3-11-24)16-5-7-17(8-6-16)31-21(19-4-1-2-12-26-19)28-20-14-27-23(29-22(20)31)30-13-9-18(32)15-30/h1-2,4-8,12,14,18,32H,3,9-11,13,15,25H2
InChIKeyOSJXPSMTSMBXLG-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.79
Rot. Bonds4

About 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol

1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol (PubChem CID 71577564) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol
PubChem CID71577564
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol
SMILESNC1(c2ccc(-n3c(-c4ccccn4)nc4cnc(N5CCC(O)C5)nc43)cc2)CCC1
InChIInChI=1S/C24H25N7O/c25-24(10-3-11-24)16-5-7-17(8-6-16)31-21(19-4-1-2-12-26-19)28-20-14-27-23(29-22(20)31)30-13-9-18(32)15-30/h1-2,4-8,12,14,18,32H,3,9-11,13,15,25H2
InChIKeyOSJXPSMTSMBXLG-UHFFFAOYSA-N
XLogP2.79
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol (CID 71577564) is 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol is NC1(c2ccc(-n3c(-c4ccccn4)nc4cnc(N5CCC(O)C5)nc43)cc2)CCC1.
What is the InChIKey of 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol?
The InChIKey is OSJXPSMTSMBXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c25-24(10-3-11-24)16-5-7-17(8-6-16)31-21(19-4-1-2-12-26-19)28-20-14-27-23(29-22(20)31)30-13-9-18(32)15-30/h1-2,4-8,12,14,18,32H,3,9-11,13,15,25H2.
What are the key properties of 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol?
1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol has a molecular weight of 427.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[4-(1-aminocyclobutyl)phenyl]-8-pyridin-2-ylpurin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 71577564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).