N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C28H25N7 — CID 145247917

About N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145247917) has the molecular formula C28H25N7 and a molecular weight of 459.56 g/mol. Its IUPAC name is N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145247917
• Molecular Formula: C28H25N7
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.22
• IUPAC Name: N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H25N7/c1-4-17(2)31-21-10-20(13-29-14-21)19-8-9-25-23(11-19)28(34-33-25)26-12-22-24(32-26)6-5-7-27(22)35-15-18(3)30-16-35/h5-16,31-32H,2,4H2,1,3H3,(H,33,34)
• InChIKey: HBNWKOBJOUCDKX-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 87.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145247917) is N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is HBNWKOBJOUCDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7/c1-4-17(2)31-21-10-20(13-29-14-21)19-8-9-25-23(11-19)28(34-33-25)26-12-22-24(32-26)6-5-7-27(22)35-15-18(3)30-16-35/h5-16,31-32H,2,4H2,1,3H3,(H,33,34).

What are the key properties of N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 459.56 g/mol, XLogP of 6.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145247917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).