6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide

C23H27ClN4O2 — CID 54597298

IUPAC6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc2c1cnn2C1CCCC1
InChIInChI=1S/C23H27ClN4O2/c1-3-6-15-9-14(2)27-23(30)19(15)12-25-22(29)18-10-16(24)11-21-20(18)13-26-28(21)17-7-4-5-8-17/h9-11,13,17H,3-8,12H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyZXIPUYJQUOIWOT-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.68
Rot. Bonds6

About 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide

6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide (PubChem CID 54597298) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
PubChem CID54597298
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc2c1cnn2C1CCCC1
InChIInChI=1S/C23H27ClN4O2/c1-3-6-15-9-14(2)27-23(30)19(15)12-25-22(29)18-10-16(24)11-21-20(18)13-26-28(21)17-7-4-5-8-17/h9-11,13,17H,3-8,12H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyZXIPUYJQUOIWOT-UHFFFAOYSA-N
XLogP4.68
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide (CID 54597298) is 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc2c1cnn2C1CCCC1.
What is the InChIKey of 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The InChIKey is ZXIPUYJQUOIWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-3-6-15-9-14(2)27-23(30)19(15)12-25-22(29)18-10-16(24)11-21-20(18)13-26-28(21)17-7-4-5-8-17/h9-11,13,17H,3-8,12H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 54597298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).