N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide

C24H24FN5O — CID 118381167

IUPACN-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
SMILESCCN1CCC(NC(=O)c2n[nH]c3cc(F)c(-c4cncc5ccccc45)cc23)CC1
InChIInChI=1S/C24H24FN5O/c1-2-30-9-7-16(8-10-30)27-24(31)23-19-11-18(21(25)12-22(19)28-29-23)20-14-26-13-15-5-3-4-6-17(15)20/h3-6,11-14,16H,2,7-10H2,1H3,(H,27,31)(H,28,29)
InChIKeyNEVXHBSJZWFBJT-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.13
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide

N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide (PubChem CID 118381167) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
PubChem CID118381167
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC NameN-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
SMILESCCN1CCC(NC(=O)c2n[nH]c3cc(F)c(-c4cncc5ccccc45)cc23)CC1
InChIInChI=1S/C24H24FN5O/c1-2-30-9-7-16(8-10-30)27-24(31)23-19-11-18(21(25)12-22(19)28-29-23)20-14-26-13-15-5-3-4-6-17(15)20/h3-6,11-14,16H,2,7-10H2,1H3,(H,27,31)(H,28,29)
InChIKeyNEVXHBSJZWFBJT-UHFFFAOYSA-N
XLogP4.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide (CID 118381167) is N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide is CCN1CCC(NC(=O)c2n[nH]c3cc(F)c(-c4cncc5ccccc45)cc23)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
The InChIKey is NEVXHBSJZWFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-2-30-9-7-16(8-10-30)27-24(31)23-19-11-18(21(25)12-22(19)28-29-23)20-14-26-13-15-5-3-4-6-17(15)20/h3-6,11-14,16H,2,7-10H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-6-fluoro-5-isoquinolin-4-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).