N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C25H26N8O3 — CID 118173132

IUPACN-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1=O
InChIInChI=1S/C25H26N8O3/c1-3-31-9-10-32(15-23(31)34)24(35)16-33-14-17-11-19(7-8-21(17)29-33)27-25(36)22-6-4-5-20(28-22)18-12-26-30(2)13-18/h4-8,11-14H,3,9-10,15-16H2,1-2H3,(H,27,36)
InChIKeySYMCIXVUJDNGGY-UHFFFAOYSA-N
MW486.54 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118173132) has the molecular formula C25H26N8O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118173132
Molecular FormulaC25H26N8O3
Molecular Weight486.54 g/mol
Exact Mass486.21
IUPAC NameN-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1=O
InChIInChI=1S/C25H26N8O3/c1-3-31-9-10-32(15-23(31)34)24(35)16-33-14-17-11-19(7-8-21(17)29-33)27-25(36)22-6-4-5-20(28-22)18-12-26-30(2)13-18/h4-8,11-14H,3,9-10,15-16H2,1-2H3,(H,27,36)
InChIKeySYMCIXVUJDNGGY-UHFFFAOYSA-N
XLogP1.77
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118173132) is N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is CCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1=O.
What is the InChIKey of N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is SYMCIXVUJDNGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3/c1-3-31-9-10-32(15-23(31)34)24(35)16-33-14-17-11-19(7-8-21(17)29-33)27-25(36)22-6-4-5-20(28-22)18-12-26-30(2)13-18/h4-8,11-14H,3,9-10,15-16H2,1-2H3,(H,27,36).
What are the key properties of N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118173132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).