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

C32H29N7 — CID 25188954

IUPAC3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ncccn23)cc1
InChIInChI=1S/C32H29N7/c1-2-7-26(8-3-1)31-30(35-32-34-17-6-18-39(31)32)25-12-10-23(11-13-25)22-38-19-14-24(15-20-38)28-21-29(37-36-28)27-9-4-5-16-33-27/h1-13,16-18,21,24H,14-15,19-20,22H2,(H,36,37)
InChIKeyGVGVQMJHGSJXSY-UHFFFAOYSA-N
MW511.63 g/mol
LogP6.23
Rot. Bonds6

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

3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 25188954) 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-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
PubChem CID25188954
Molecular FormulaC32H29N7
Molecular Weight511.63 g/mol
Exact Mass511.25
IUPAC Name3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ncccn23)cc1
InChIInChI=1S/C32H29N7/c1-2-7-26(8-3-1)31-30(35-32-34-17-6-18-39(31)32)25-12-10-23(11-13-25)22-38-19-14-24(15-20-38)28-21-29(37-36-28)27-9-4-5-16-33-27/h1-13,16-18,21,24H,14-15,19-20,22H2,(H,36,37)
InChIKeyGVGVQMJHGSJXSY-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-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (CID 25188954) is 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is c1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ncccn23)cc1.
What is the InChIKey of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is GVGVQMJHGSJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7/c1-2-7-26(8-3-1)31-30(35-32-34-17-6-18-39(31)32)25-12-10-23(11-13-25)22-38-19-14-24(15-20-38)28-21-29(37-36-28)27-9-4-5-16-33-27/h1-13,16-18,21,24H,14-15,19-20,22H2,(H,36,37).
What are the key properties of 3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine 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-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 25188954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).