N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide

C27H27ClN6O3 — CID 118212479

About N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 118212479) has the molecular formula C27H27ClN6O3 and a molecular weight of 519.01 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide
• PubChem CID: 118212479
• Molecular Formula: C27H27ClN6O3
• Molecular Weight: 519.01 g/mol
• Exact Mass: 518.18
• IUPAC Name: N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide
• SMILES: CN1C(=O)CN(C(=O)NCc2[nH]nc3ccc(Cl)cc23)CC1Cc1ccc(Cn2ccccc2=O)cc1
• InChI: InChI=1S/C27H27ClN6O3/c1-32-21(12-18-5-7-19(8-6-18)15-33-11-3-2-4-25(33)35)16-34(17-26(32)36)27(37)29-14-24-22-13-20(28)9-10-23(22)30-31-24/h2-11,13,21H,12,14-17H2,1H3,(H,29,37)(H,30,31)
• InChIKey: UFCDXVVJBJLWFP-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 103.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.01
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide?

The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide (CID 118212479) is N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide.

What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide?

The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide is CN1C(=O)CN(C(=O)NCc2[nH]nc3ccc(Cl)cc23)CC1Cc1ccc(Cn2ccccc2=O)cc1.

What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide?

The InChIKey is UFCDXVVJBJLWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O3/c1-32-21(12-18-5-7-19(8-6-18)15-33-11-3-2-4-25(33)35)16-34(17-26(32)36)27(37)29-14-24-22-13-20(28)9-10-23(22)30-31-24/h2-11,13,21H,12,14-17H2,1H3,(H,29,37)(H,30,31).

What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide?

N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 519.01 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-4-methyl-3-oxo-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 118212479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).