3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine

C32H29N7 — CID 25175139

IUPAC3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ccccn23)cc1
InChIInChI=1S/C32H29N7/c1-2-8-25(9-3-1)30-29(34-28-11-5-7-19-39(28)30)24-14-12-23(13-15-24)22-38-20-16-26(17-21-38)31-35-32(37-36-31)27-10-4-6-18-33-27/h1-15,18-19,26H,16-17,20-22H2,(H,35,36,37)
InChIKeyDAPVVWYDUUPISK-UHFFFAOYSA-N
MW511.63 g/mol
LogP6.23
Rot. Bonds6

About 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine

3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 25175139) has the molecular formula C32H29N7 and a molecular weight of 511.63 g/mol. Its IUPAC name is 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID25175139
Molecular FormulaC32H29N7
Molecular Weight511.63 g/mol
Exact Mass511.25
IUPAC Name3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ccccn23)cc1
InChIInChI=1S/C32H29N7/c1-2-8-25(9-3-1)30-29(34-28-11-5-7-19-39(28)30)24-14-12-23(13-15-24)22-38-20-16-26(17-21-38)31-35-32(37-36-31)27-10-4-6-18-33-27/h1-15,18-19,26H,16-17,20-22H2,(H,35,36,37)
InChIKeyDAPVVWYDUUPISK-UHFFFAOYSA-N
XLogP6.23
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine (CID 25175139) is 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ccccn23)cc1.
What is the InChIKey of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is DAPVVWYDUUPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7/c1-2-8-25(9-3-1)30-29(34-28-11-5-7-19-39(28)30)24-14-12-23(13-15-24)22-38-20-16-26(17-21-38)31-35-32(37-36-31)27-10-4-6-18-33-27/h1-15,18-19,26H,16-17,20-22H2,(H,35,36,37).
What are the key properties of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine?
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 511.63 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 25175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).