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

C33H31N7 — CID 11663666

IUPAC7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H31N7/c1-22-37-29-9-5-6-10-30(29)40(22)26-15-17-39(18-16-26)20-23-11-13-25(14-12-23)31-27(24-7-3-2-4-8-24)19-28-32(34)35-21-36-33(28)38-31/h2-14,19,21,26H,15-18,20H2,1H3,(H2,34,35,36,38)
InChIKeyXZZVNLYLIJCASD-UHFFFAOYSA-N
MW525.66 g/mol
LogP6.44
Rot. Bonds5

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

7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11663666) has the molecular formula C33H31N7 and a molecular weight of 525.66 g/mol. Its IUPAC name is 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11663666
Molecular FormulaC33H31N7
Molecular Weight525.66 g/mol
Exact Mass525.26
IUPAC Name7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H31N7/c1-22-37-29-9-5-6-10-30(29)40(22)26-15-17-39(18-16-26)20-23-11-13-25(14-12-23)31-27(24-7-3-2-4-8-24)19-28-32(34)35-21-36-33(28)38-31/h2-14,19,21,26H,15-18,20H2,1H3,(H2,34,35,36,38)
InChIKeyXZZVNLYLIJCASD-UHFFFAOYSA-N
XLogP6.44
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (CID 11663666) is 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XZZVNLYLIJCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7/c1-22-37-29-9-5-6-10-30(29)40(22)26-15-17-39(18-16-26)20-23-11-13-25(14-12-23)31-27(24-7-3-2-4-8-24)19-28-32(34)35-21-36-33(28)38-31/h2-14,19,21,26H,15-18,20H2,1H3,(H2,34,35,36,38).
What are the key properties of 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 525.66 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11663666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).