N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C27H29N7 — CID 137115280

About N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137115280) has the molecular formula C27H29N7 and a molecular weight of 451.58 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137115280
• Molecular Formula: C27H29N7
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.25
• IUPAC Name: N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: CN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N(C)C)c6)cc45)cc23)CC1
• InChI: InChI=1S/C27H29N7/c1-32(2)20-13-19(16-28-17-20)18-7-8-24-22(14-18)27(31-30-24)25-15-21-23(29-25)5-4-6-26(21)34-11-9-33(3)10-12-34/h4-8,13-17,29H,9-12H2,1-3H3,(H,30,31)
• InChIKey: GQZPXPHPQCUTHD-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 67.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 137115280) is N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N(C)C)c6)cc45)cc23)CC1.

What is the InChIKey of N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is GQZPXPHPQCUTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7/c1-32(2)20-13-19(16-28-17-20)18-7-8-24-22(14-18)27(31-30-24)25-15-21-23(29-25)5-4-6-26(21)34-11-9-33(3)10-12-34/h4-8,13-17,29H,9-12H2,1-3H3,(H,30,31).

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

N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 451.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137115280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).