N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide

C30H33N7O — CID 44540137

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)CN1CCN(Cc2cccc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC1
InChIInChI=1S/C30H33N7O/c1-20(2)18-36-11-13-37(14-12-36)19-22-5-3-8-27(33-22)30(38)34-28-15-21(16-29-25(28)17-32-35-29)23-6-4-7-26-24(23)9-10-31-26/h3-10,15-17,20,31H,11-14,18-19H2,1-2H3,(H,32,35)(H,34,38)
InChIKeyKHZUQZADVHYNIQ-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.13
Rot. Bonds7

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 44540137) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
PubChem CID44540137
Molecular FormulaC30H33N7O
Molecular Weight507.64 g/mol
Exact Mass507.27
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)CN1CCN(Cc2cccc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC1
InChIInChI=1S/C30H33N7O/c1-20(2)18-36-11-13-37(14-12-36)19-22-5-3-8-27(33-22)30(38)34-28-15-21(16-29-25(28)17-32-35-29)23-6-4-7-26-24(23)9-10-31-26/h3-10,15-17,20,31H,11-14,18-19H2,1-2H3,(H,32,35)(H,34,38)
InChIKeyKHZUQZADVHYNIQ-UHFFFAOYSA-N
XLogP5.13
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide (CID 44540137) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide is CC(C)CN1CCN(Cc2cccc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC1.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide?
The InChIKey is KHZUQZADVHYNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c1-20(2)18-36-11-13-37(14-12-36)19-22-5-3-8-27(33-22)30(38)34-28-15-21(16-29-25(28)17-32-35-29)23-6-4-7-26-24(23)9-10-31-26/h3-10,15-17,20,31H,11-14,18-19H2,1-2H3,(H,32,35)(H,34,38).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 44540137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).