7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline

C24H26FN7 — CID 138404094

IUPAC7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline
SMILESCc1nc(N2CCCC2c2cc3ccc(F)cc3nc2N2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C24H26FN7/c1-15-28-22-21(26-14-27-22)24(29-15)32-11-5-6-20(32)18-12-16-7-8-17(25)13-19(16)30-23(18)31-9-3-2-4-10-31/h7-8,12-14,20H,2-6,9-11H2,1H3,(H,26,27,28,29)
InChIKeyIXIHVRUYXHPSNP-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.68
Rot. Bonds3

About 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline

7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline (PubChem CID 138404094) has the molecular formula C24H26FN7 and a molecular weight of 431.52 g/mol. Its IUPAC name is 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline.

Molecular Properties

Compound Name7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline
PubChem CID138404094
Molecular FormulaC24H26FN7
Molecular Weight431.52 g/mol
Exact Mass431.22
IUPAC Name7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline
SMILESCc1nc(N2CCCC2c2cc3ccc(F)cc3nc2N2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C24H26FN7/c1-15-28-22-21(26-14-27-22)24(29-15)32-11-5-6-20(32)18-12-16-7-8-17(25)13-19(16)30-23(18)31-9-3-2-4-10-31/h7-8,12-14,20H,2-6,9-11H2,1H3,(H,26,27,28,29)
InChIKeyIXIHVRUYXHPSNP-UHFFFAOYSA-N
XLogP4.68
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline?
The IUPAC name of 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline (CID 138404094) is 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline.
What is the SMILES notation for 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline?
The canonical SMILES for 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline is Cc1nc(N2CCCC2c2cc3ccc(F)cc3nc2N2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline?
The InChIKey is IXIHVRUYXHPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7/c1-15-28-22-21(26-14-27-22)24(29-15)32-11-5-6-20(32)18-12-16-7-8-17(25)13-19(16)30-23(18)31-9-3-2-4-10-31/h7-8,12-14,20H,2-6,9-11H2,1H3,(H,26,27,28,29).
What are the key properties of 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline?
7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline has a molecular weight of 431.52 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline is sourced from PubChem (CID 138404094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).