1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C24H20F2N4O3 — CID 159085176

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2[nH]ncc2c1.[H][H]
InChIInChI=1S/C24H18F2N4O3.H2/c1-13-2-7-20(28-21(13)14-3-5-17-15(10-14)12-27-30-17)29-22(31)23(8-9-23)16-4-6-18-19(11-16)33-24(25,26)32-18;/h2-7,10-12H,8-9H2,1H3,(H,27,30)(H,28,29,31);1H
InChIKeyKBIZPSXBVQIKPG-UHFFFAOYSA-N
MW450.45 g/mol
LogP5.17
Rot. Bonds4

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159085176) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159085176
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2[nH]ncc2c1.[H][H]
InChIInChI=1S/C24H18F2N4O3.H2/c1-13-2-7-20(28-21(13)14-3-5-17-15(10-14)12-27-30-17)29-22(31)23(8-9-23)16-4-6-18-19(11-16)33-24(25,26)32-18;/h2-7,10-12H,8-9H2,1H3,(H,27,30)(H,28,29,31);1H
InChIKeyKBIZPSXBVQIKPG-UHFFFAOYSA-N
XLogP5.17
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[4-[2-(1H-1,2,4-triazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 117077411
2-(1,3-benzodioxol-5-yl)-N-[5-fluoro-4-[2-(1H-1,2,4-triazol-5-yl)anilino]-2-pyridinyl]acetamide
CID 117077432
2-(1,3-benzodioxol-5-yl)-N-[5-fluoro-4-[2-(2H-tetrazol-5-yl)anilino]-2-pyridinyl]acetamide
CID 117077290
2-(1,3-benzodioxol-5-yl)-N-[4-[2-(2H-tetrazol-5-yl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 117077425
2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
CID 18674013
2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674023
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(1H-indol-5-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 57732995
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(1H-indazol-5-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 57733017
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2-methyl-1H-indol-5-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57733025
N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 57908152
N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 57908156
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide
CID 57908169

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159085176) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2[nH]ncc2c1.[H][H].
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is KBIZPSXBVQIKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3.H2/c1-13-2-7-20(28-21(13)14-3-5-17-15(10-14)12-27-30-17)29-22(31)23(8-9-23)16-4-6-18-19(11-16)33-24(25,26)32-18;/h2-7,10-12H,8-9H2,1H3,(H,27,30)(H,28,29,31);1H.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 450.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159085176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).