5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide

C22H25F2N5O — CID 118381122

IUPAC5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C(F)F)c4)cc23)CC1
InChIInChI=1S/C22H25F2N5O/c1-13(2)29-7-5-17(6-8-29)26-22(30)20-18-10-14(3-4-19(18)27-28-20)15-9-16(21(23)24)12-25-11-15/h3-4,9-13,17,21H,5-8H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyBZGMJNANKZSZST-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.17
Rot. Bonds5

About 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide

5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381122) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381122
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C(F)F)c4)cc23)CC1
InChIInChI=1S/C22H25F2N5O/c1-13(2)29-7-5-17(6-8-29)26-22(30)20-18-10-14(3-4-19(18)27-28-20)15-9-16(21(23)24)12-25-11-15/h3-4,9-13,17,21H,5-8H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyBZGMJNANKZSZST-UHFFFAOYSA-N
XLogP4.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-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-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118381122) is 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide is CC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C(F)F)c4)cc23)CC1.
What is the InChIKey of 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is BZGMJNANKZSZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-13(2)29-7-5-17(6-8-29)26-22(30)20-18-10-14(3-4-19(18)27-28-20)15-9-16(21(23)24)12-25-11-15/h3-4,9-13,17,21H,5-8H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).