N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C19H16F2N4O — CID 171682635

IUPACN-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccnc(C(=O)NC3CCc4c(F)cc(F)cc43)c2)cn1
InChIInChI=1S/C19H16F2N4O/c1-25-10-12(9-23-25)11-4-5-22-18(6-11)19(26)24-17-3-2-14-15(17)7-13(20)8-16(14)21/h4-10,17H,2-3H2,1H3,(H,24,26)
InChIKeyLDFMZUKBIYEAKG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.18
Rot. Bonds3

About N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 171682635) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID171682635
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccnc(C(=O)NC3CCc4c(F)cc(F)cc43)c2)cn1
InChIInChI=1S/C19H16F2N4O/c1-25-10-12(9-23-25)11-4-5-22-18(6-11)19(26)24-17-3-2-14-15(17)7-13(20)8-16(14)21/h4-10,17H,2-3H2,1H3,(H,24,26)
InChIKeyLDFMZUKBIYEAKG-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-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 N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 171682635) is N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2ccnc(C(=O)NC3CCc4c(F)cc(F)cc43)c2)cn1.
What is the InChIKey of N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is LDFMZUKBIYEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-25-10-12(9-23-25)11-4-5-22-18(6-11)19(26)24-17-3-2-14-15(17)7-13(20)8-16(14)21/h4-10,17H,2-3H2,1H3,(H,24,26).
What are the key properties of N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 171682635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).