2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide

C25H22F2N4O3 — CID 118384005

IUPAC2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C25H22F2N4O3/c1-14-5-10-21(29-22(14)15-6-8-18-16(11-15)13-28-31(18)4)30-23(32)24(2,3)17-7-9-19-20(12-17)34-25(26,27)33-19/h5-13H,1-4H3,(H,29,30,32)
InChIKeyPZDQTJNRWANVDX-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.18
Rot. Bonds4

About 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide (PubChem CID 118384005) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide
PubChem CID118384005
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C25H22F2N4O3/c1-14-5-10-21(29-22(14)15-6-8-18-16(11-15)13-28-31(18)4)30-23(32)24(2,3)17-7-9-19-20(12-17)34-25(26,27)33-19/h5-13H,1-4H3,(H,29,30,32)
InChIKeyPZDQTJNRWANVDX-UHFFFAOYSA-N
XLogP5.18
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide (CID 118384005) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide is Cc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2c(cnn2C)c1.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide?
The InChIKey is PZDQTJNRWANVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-14-5-10-21(29-22(14)15-6-8-18-16(11-15)13-28-31(18)4)30-23(32)24(2,3)17-7-9-19-20(12-17)34-25(26,27)33-19/h5-13H,1-4H3,(H,29,30,32).
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide?
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide has a molecular weight of 464.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(1-methylindazol-5-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 118384005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).