6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide

C27H34N6O2 — CID 118173109

IUPAC6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCCc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCC(N5CCCC5)CC4)nc3cc2C)n1
InChIInChI=1S/C27H34N6O2/c1-3-21-7-6-8-23(28-21)27(35)29-24-16-20-17-33(30-25(20)15-19(24)2)18-26(34)32-13-9-22(10-14-32)31-11-4-5-12-31/h6-8,15-17,22H,3-5,9-14,18H2,1-2H3,(H,29,35)
InChIKeyWXUBQIURKWYUAC-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.64
Rot. Bonds6

About 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide

6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173109) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173109
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCCc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCC(N5CCCC5)CC4)nc3cc2C)n1
InChIInChI=1S/C27H34N6O2/c1-3-21-7-6-8-23(28-21)27(35)29-24-16-20-17-33(30-25(20)15-19(24)2)18-26(34)32-13-9-22(10-14-32)31-11-4-5-12-31/h6-8,15-17,22H,3-5,9-14,18H2,1-2H3,(H,29,35)
InChIKeyWXUBQIURKWYUAC-UHFFFAOYSA-N
XLogP3.64
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118173109) is 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide is CCc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCC(N5CCCC5)CC4)nc3cc2C)n1.
What is the InChIKey of 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is WXUBQIURKWYUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-3-21-7-6-8-23(28-21)27(35)29-24-16-20-17-33(30-25(20)15-19(24)2)18-26(34)32-13-9-22(10-14-32)31-11-4-5-12-31/h6-8,15-17,22H,3-5,9-14,18H2,1-2H3,(H,29,35).
What are the key properties of 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?
6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).