7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine

C30H28N10 — CID 11584546

IUPAC7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(CN4CCC(n5cnc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C30H28N10/c31-27-24-14-23(20-4-2-1-3-5-20)25(38-29(24)35-16-33-27)21-8-6-19(7-9-21)15-39-12-10-22(11-13-39)40-18-37-26-28(32)34-17-36-30(26)40/h1-9,14,16-18,22H,10-13,15H2,(H2,32,34,36)(H2,31,33,35,38)
InChIKeyWFWTUJWPLXFJBT-UHFFFAOYSA-N
MW528.62 g/mol
LogP4.50
Rot. Bonds5

About 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine

7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11584546) has the molecular formula C30H28N10 and a molecular weight of 528.62 g/mol. Its IUPAC name is 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11584546
Molecular FormulaC30H28N10
Molecular Weight528.62 g/mol
Exact Mass528.25
IUPAC Name7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(CN4CCC(n5cnc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C30H28N10/c31-27-24-14-23(20-4-2-1-3-5-20)25(38-29(24)35-16-33-27)21-8-6-19(7-9-21)15-39-12-10-22(11-13-39)40-18-37-26-28(32)34-17-36-30(26)40/h1-9,14,16-18,22H,10-13,15H2,(H2,32,34,36)(H2,31,33,35,38)
InChIKeyWFWTUJWPLXFJBT-UHFFFAOYSA-N
XLogP4.50
TPSA137.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (CID 11584546) is 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(CN4CCC(n5cnc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is WFWTUJWPLXFJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N10/c31-27-24-14-23(20-4-2-1-3-5-20)25(38-29(24)35-16-33-27)21-8-6-19(7-9-21)15-39-12-10-22(11-13-39)40-18-37-26-28(32)34-17-36-30(26)40/h1-9,14,16-18,22H,10-13,15H2,(H2,32,34,36)(H2,31,33,35,38).
What are the key properties of 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 528.62 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11584546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).