2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide

C25H21N7O — CID 20781374

About 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide

2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 20781374) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide
• PubChem CID: 20781374
• Molecular Formula: C25H21N7O
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.18
• IUPAC Name: 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide
• SMILES: Cn1nccc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
• InChI: InChI=1S/C25H21N7O/c1-32-24(12-14-27-32)25(33)29-19-7-4-6-18(15-19)28-20-8-10-21-22(30-31-23(21)16-20)11-9-17-5-2-3-13-26-17/h2-16,28H,1H3,(H,29,33)(H,30,31)/b11-9+
• InChIKey: ZFULQGLWNIZXJZ-PKNBQFBNSA-N
• XLogP: 4.86
• TPSA: 100.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide (CID 20781374) is 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.

What is the InChIKey of 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide?

The InChIKey is ZFULQGLWNIZXJZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C25H21N7O/c1-32-24(12-14-27-32)25(33)29-19-7-4-6-18(15-19)28-20-8-10-21-22(30-31-23(21)16-20)11-9-17-5-2-3-13-26-17/h2-16,28H,1H3,(H,29,33)(H,30,31)/b11-9+.

What are the key properties of 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide?

2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 20781374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).