6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile

C22H19ClF2N10 — CID 138620995

About 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile

6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 138620995) has the molecular formula C22H19ClF2N10 and a molecular weight of 496.91 g/mol. Its IUPAC name is 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile
• PubChem CID: 138620995
• Molecular Formula: C22H19ClF2N10
• Molecular Weight: 496.91 g/mol
• Exact Mass: 496.15
• IUPAC Name: 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile
• SMILES: N#Cc1ccc(N2CCC(Nc3nc(Nc4ccn5cc(C(F)F)nc5c4)ncc3Cl)CC2)nn1
• InChI: InChI=1S/C22H19ClF2N10/c23-16-11-27-22(29-14-5-8-35-12-17(20(24)25)30-19(35)9-14)31-21(16)28-13-3-6-34(7-4-13)18-2-1-15(10-26)32-33-18/h1-2,5,8-9,11-13,20H,3-4,6-7H2,(H2,27,28,29,31)
• InChIKey: KUYDLNBWRWXUAS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 119.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.91
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?

The IUPAC name of 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile (CID 138620995) is 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile.

What is the SMILES notation for 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?

The canonical SMILES for 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCC(Nc3nc(Nc4ccn5cc(C(F)F)nc5c4)ncc3Cl)CC2)nn1.

What is the InChIKey of 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?

The InChIKey is KUYDLNBWRWXUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N10/c23-16-11-27-22(29-14-5-8-35-12-17(20(24)25)30-19(35)9-14)31-21(16)28-13-3-6-34(7-4-13)18-2-1-15(10-26)32-33-18/h1-2,5,8-9,11-13,20H,3-4,6-7H2,(H2,27,28,29,31).

What are the key properties of 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile?

6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 496.91 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[5-chloro-2-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-7-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 138620995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).