N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C26H26FN5O2 — CID 123806673

IUPACN-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CC4CCCCOCC4)c3)cc12
InChIInChI=1S/C26H26FN5O2/c27-21-12-22(16-29-15-21)30-26(33)25-23-11-19(4-5-24(23)31-32-25)20-10-18(13-28-14-20)9-17-3-1-2-7-34-8-6-17/h4-5,10-17H,1-3,6-9H2,(H,30,33)(H,31,32)
InChIKeyLVGUURXQMAWXSZ-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.16
Rot. Bonds5

About N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 123806673) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID123806673
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CC4CCCCOCC4)c3)cc12
InChIInChI=1S/C26H26FN5O2/c27-21-12-22(16-29-15-21)30-26(33)25-23-11-19(4-5-24(23)31-32-25)20-10-18(13-28-14-20)9-17-3-1-2-7-34-8-6-17/h4-5,10-17H,1-3,6-9H2,(H,30,33)(H,31,32)
InChIKeyLVGUURXQMAWXSZ-UHFFFAOYSA-N
XLogP5.16
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-[(4,4-difluorocyclooctyl)methyl]-3-pyridinyl]-N-[6-[3-(oxepan-4-yl)propyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 123254189
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451248
N-(3-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89459049
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451187
N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382016
3-cyclopentyl-1-[5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]propan-1-one
CID 123403005
N-[6-(2-cyclopentylacetyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 148813338
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451050
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458744
N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 123718021
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450531

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 123806673) is N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CC4CCCCOCC4)c3)cc12.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is LVGUURXQMAWXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-21-12-22(16-29-15-21)30-26(33)25-23-11-19(4-5-24(23)31-32-25)20-10-18(13-28-14-20)9-17-3-1-2-7-34-8-6-17/h4-5,10-17H,1-3,6-9H2,(H,30,33)(H,31,32).
What are the key properties of N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-5-[5-(oxocan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 123806673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).