N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

C30H34N8 — CID 137102929

About N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 137102929) has the molecular formula C30H34N8 and a molecular weight of 506.66 g/mol. Its IUPAC name is N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 137102929
• Molecular Formula: C30H34N8
• Molecular Weight: 506.66 g/mol
• Exact Mass: 506.29
• IUPAC Name: N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CCCC)Nc1cncc(-c2cc3c(-c4cc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C30H34N8/c1-4-5-7-20(2)33-22-14-21(17-31-18-22)26-16-24-28(19-32-26)35-36-30(24)27-15-23-25(34-27)8-6-9-29(23)38-12-10-37(3)11-13-38/h6,8-9,14-19,33-34H,2,4-5,7,10-13H2,1,3H3,(H,35,36)
• InChIKey: TUKCFFKHSGMHDX-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 88.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.66
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 137102929) is N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is C=C(CCCC)Nc1cncc(-c2cc3c(-c4cc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is TUKCFFKHSGMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8/c1-4-5-7-20(2)33-22-14-21(17-31-18-22)26-16-24-28(19-32-26)35-36-30(24)27-15-23-25(34-27)8-6-9-29(23)38-12-10-37(3)11-13-38/h6,8-9,14-19,33-34H,2,4-5,7,10-13H2,1,3H3,(H,35,36).

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

N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 506.66 g/mol, XLogP of 6.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137102929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).