5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide

C22H25ClFN5O — CID 118383884

IUPAC5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)n2ncc3cc(-c4cncc(Cl)c4)ccc32)CC1
InChIInChI=1S/C22H25ClFN5O/c1-22(2,24)14-28-7-5-19(6-8-28)27-21(30)29-20-4-3-15(9-17(20)12-26-29)16-10-18(23)13-25-11-16/h3-4,9-13,19H,5-8,14H2,1-2H3,(H,27,30)
InChIKeyLOHAYOWNQXWEIJ-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.52
Rot. Bonds4

About 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide

5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide (PubChem CID 118383884) has the molecular formula C22H25ClFN5O and a molecular weight of 429.93 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide
PubChem CID118383884
Molecular FormulaC22H25ClFN5O
Molecular Weight429.93 g/mol
Exact Mass429.17
IUPAC Name5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)n2ncc3cc(-c4cncc(Cl)c4)ccc32)CC1
InChIInChI=1S/C22H25ClFN5O/c1-22(2,24)14-28-7-5-19(6-8-28)27-21(30)29-20-4-3-15(9-17(20)12-26-29)16-10-18(23)13-25-11-16/h3-4,9-13,19H,5-8,14H2,1-2H3,(H,27,30)
InChIKeyLOHAYOWNQXWEIJ-UHFFFAOYSA-N
XLogP4.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide (CID 118383884) is 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide is CC(C)(F)CN1CCC(NC(=O)n2ncc3cc(-c4cncc(Cl)c4)ccc32)CC1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide?
The InChIKey is LOHAYOWNQXWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O/c1-22(2,24)14-28-7-5-19(6-8-28)27-21(30)29-20-4-3-15(9-17(20)12-26-29)16-10-18(23)13-25-11-16/h3-4,9-13,19H,5-8,14H2,1-2H3,(H,27,30).
What are the key properties of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide?
5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide is sourced from PubChem (CID 118383884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).