N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride

C38H47ClFN7O3 — CID 68552181

About N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride

N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride (PubChem CID 68552181) has the molecular formula C38H47ClFN7O3 and a molecular weight of 704.29 g/mol. Its IUPAC name is N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 68552181
• Molecular Formula: C38H47ClFN7O3
• Molecular Weight: 704.29 g/mol
• Exact Mass: 703.34
• IUPAC Name: N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride
• SMILES: CN(C)CCN(C)Cc1ccc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)c4cc5n(n4)CCCC5)CC3)c2)cc1.Cl
• InChI: InChI=1S/C38H46FN7O3.ClH/c1-44(2)19-20-45(3)25-26-10-12-27(13-11-26)28-7-6-9-33(21-28)49-38-34(22-29(39)24-40-38)36(47)41-30-14-16-31(17-15-30)42-37(48)35-23-32-8-4-5-18-46(32)43-35;/h6-7,9-13,21-24,30-31H,4-5,8,14-20,25H2,1-3H3,(H,41,47)(H,42,48);1H
• InChIKey: VAYGMTGCTJVFPR-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.29
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride (CID 68552181) is N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride is CN(C)CCN(C)Cc1ccc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)c4cc5n(n4)CCCC5)CC3)c2)cc1.Cl.

What is the InChIKey of N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride?

The InChIKey is VAYGMTGCTJVFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46FN7O3.ClH/c1-44(2)19-20-45(3)25-26-10-12-27(13-11-26)28-7-6-9-33(21-28)49-38-34(22-29(39)24-40-38)36(47)41-30-14-16-31(17-15-30)42-37(48)35-23-32-8-4-5-18-46(32)43-35;/h6-7,9-13,21-24,30-31H,4-5,8,14-20,25H2,1-3H3,(H,41,47)(H,42,48);1H.

What are the key properties of N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride?

N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride has a molecular weight of 704.29 g/mol, XLogP of 6.10, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 68552181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).