N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide

C20H21ClFN7O — CID 155798093

About N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide

N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 155798093) has the molecular formula C20H21ClFN7O and a molecular weight of 429.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 155798093
• Molecular Formula: C20H21ClFN7O
• Molecular Weight: 429.89 g/mol
• Exact Mass: 429.15
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide
• SMILES: Cc1cc(Nc2cccc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)n2)n[nH]1
• InChI: InChI=1S/C20H21ClFN7O/c1-13-11-18(27-26-13)24-17-3-2-4-19(25-17)28-7-9-29(10-8-28)20(30)23-14-5-6-16(22)15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,23,30)(H2,24,25,26,27)
• InChIKey: JRTNOWMTXNJIHC-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 89.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.89
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide (CID 155798093) is N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide is Cc1cc(Nc2cccc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)n2)n[nH]1.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?

The InChIKey is JRTNOWMTXNJIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN7O/c1-13-11-18(27-26-13)24-17-3-2-4-19(25-17)28-7-9-29(10-8-28)20(30)23-14-5-6-16(22)15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,23,30)(H2,24,25,26,27).

What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?

N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 429.89 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 155798093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).