7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine

C30H27N7 — CID 68751039

IUPAC7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-18-15-32-30(37)34-27(25)23-10-8-21(9-11-23)19-36-16-12-24(13-17-36)28-33-26-7-4-14-31-29(26)35-28/h1-11,14-15,18,20,24H,12-13,16-17,19H2,(H,31,33,35)
InChIKeyJCDVPPQJBRAPJR-UHFFFAOYSA-N
MW485.60 g/mol
LogP5.71
Rot. Bonds5

About 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine

7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine (PubChem CID 68751039) has the molecular formula C30H27N7 and a molecular weight of 485.60 g/mol. Its IUPAC name is 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine
PubChem CID68751039
Molecular FormulaC30H27N7
Molecular Weight485.60 g/mol
Exact Mass485.23
IUPAC Name7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-18-15-32-30(37)34-27(25)23-10-8-21(9-11-23)19-36-16-12-24(13-17-36)28-33-26-7-4-14-31-29(26)35-28/h1-11,14-15,18,20,24H,12-13,16-17,19H2,(H,31,33,35)
InChIKeyJCDVPPQJBRAPJR-UHFFFAOYSA-N
XLogP5.71
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine (CID 68751039) is 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine is c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is JCDVPPQJBRAPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-18-15-32-30(37)34-27(25)23-10-8-21(9-11-23)19-36-16-12-24(13-17-36)28-33-26-7-4-14-31-29(26)35-28/h1-11,14-15,18,20,24H,12-13,16-17,19H2,(H,31,33,35).
What are the key properties of 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine?
7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 485.60 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 68751039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).