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

C24H18F2N4O3 — CID 59165865

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C24H18F2N4O3/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)
InChIKeyJHOMQXCNPHCBOR-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.93
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

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59165865) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 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 Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID59165865
Molecular FormulaC24H18F2N4O3
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C24H18F2N4O3/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)
InChIKeyJHOMQXCNPHCBOR-UHFFFAOYSA-N
XLogP4.93
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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?
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 (CID 59165865) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide.
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?
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 is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2[nH]ncc2c1.
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?
The InChIKey is JHOMQXCNPHCBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/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).
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?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(1H-indazol-5-yl)-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.93, 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 is sourced from PubChem (CID 59165865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).