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

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Related Compounds

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 129127266
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 141420905
6-N-[(1-methylpyrazol-4-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686152
4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
CID 144905149
1-tert-butyl-N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]triazole-4-carboxamide
CID 135355997
1-tert-butyl-N-[(5S)-2-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]triazole-4-carboxamide
CID 135356334
1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 167842832
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399

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).