4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C33H36ClN7O3 — CID 147053019

About 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 147053019) has the molecular formula C33H36ClN7O3 and a molecular weight of 614.15 g/mol. Its IUPAC name is 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 147053019
• Molecular Formula: C33H36ClN7O3
• Molecular Weight: 614.15 g/mol
• Exact Mass: 613.26
• IUPAC Name: 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1cccc(Cl)c1C(=O)CC1(C)CCN(c2ncc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C33H36ClN7O3/c1-23-4-3-5-28(34)30(23)29(42)17-33(2)6-8-40(9-7-33)32-36-19-25(20-37-32)27-16-26(22-41-31(27)24(18-35)21-38-41)44-15-12-39-10-13-43-14-11-39/h3-5,16,19-22H,6-15,17H2,1-2H3
• InChIKey: BBRPVRQNZABYNC-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 108.88 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.15
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 147053019) is 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cccc(Cl)c1C(=O)CC1(C)CCN(c2ncc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BBRPVRQNZABYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36ClN7O3/c1-23-4-3-5-28(34)30(23)29(42)17-33(2)6-8-40(9-7-33)32-36-19-25(20-37-32)27-16-26(22-41-31(27)24(18-35)21-38-41)44-15-12-39-10-13-43-14-11-39/h3-5,16,19-22H,6-15,17H2,1-2H3.

What are the key properties of 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 614.15 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 147053019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).