6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

C19H17F2N5O3 — CID 142410920

IUPAC6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2ccc(C(F)F)nc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C19H17F2N5O3/c1-11(10-27)24-18(28)14-7-16(12-4-5-15(17(20)21)23-8-12)25-26(19(14)29)13-3-2-6-22-9-13/h2-9,11,17,27H,10H2,1H3,(H,24,28)/t11-/m0/s1
InChIKeyFMNNBGMARGNVOC-NSHDSACASA-N
MW401.37 g/mol
LogP1.74
Rot. Bonds6

About 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (PubChem CID 142410920) has the molecular formula C19H17F2N5O3 and a molecular weight of 401.37 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
PubChem CID142410920
Molecular FormulaC19H17F2N5O3
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2ccc(C(F)F)nc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C19H17F2N5O3/c1-11(10-27)24-18(28)14-7-16(12-4-5-15(17(20)21)23-8-12)25-26(19(14)29)13-3-2-6-22-9-13/h2-9,11,17,27H,10H2,1H3,(H,24,28)/t11-/m0/s1
InChIKeyFMNNBGMARGNVOC-NSHDSACASA-N
XLogP1.74
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-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 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The IUPAC name of 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (CID 142410920) is 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is C[C@@H](CO)NC(=O)c1cc(-c2ccc(C(F)F)nc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The InChIKey is FMNNBGMARGNVOC-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F2N5O3/c1-11(10-27)24-18(28)14-7-16(12-4-5-15(17(20)21)23-8-12)25-26(19(14)29)13-3-2-6-22-9-13/h2-9,11,17,27H,10H2,1H3,(H,24,28)/t11-/m0/s1.
What are the key properties of 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide has a molecular weight of 401.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 142410920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).