1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

C28H27N5 — CID 66665212

About 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 66665212) has the molecular formula C28H27N5 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

• Compound Name: 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
• PubChem CID: 66665212
• Molecular Formula: C28H27N5
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.23
• IUPAC Name: 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
• SMILES: Cc1c(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C
• InChI: InChI=1S/C28H27N5/c1-18-19(2)27-31-25(20-9-11-22(12-10-20)28(29)14-6-15-28)26(21-7-4-3-5-8-21)33(27)17-23(18)24-13-16-30-32-24/h3-5,7-13,16-17H,6,14-15,29H2,1-2H3,(H,30,32)
• InChIKey: OXVAKPMYZFUKFH-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 72.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?

The IUPAC name of 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (CID 66665212) is 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.

What is the SMILES notation for 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?

The canonical SMILES for 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is Cc1c(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C.

What is the InChIKey of 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?

The InChIKey is OXVAKPMYZFUKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5/c1-18-19(2)27-31-25(20-9-11-22(12-10-20)28(29)14-6-15-28)26(21-7-4-3-5-8-21)33(27)17-23(18)24-13-16-30-32-24/h3-5,7-13,16-17H,6,14-15,29H2,1-2H3,(H,30,32).

What are the key properties of 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?

1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 433.56 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 66665212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).