(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C15H14F4N4O3 — CID 134363951

IUPAC(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2
InChIInChI=1S/C15H14F4N4O3/c16-14(17)23-5-7(4-21-23)10-3-11(12(20)24)22-13-9(10)2-1-8(26-13)6-25-15(18)19/h3-5,8,14-15H,1-2,6H2,(H2,20,24)/t8-/m0/s1
InChIKeySTQATWGNSCYSCU-QMMMGPOBSA-N
MW374.29 g/mol
LogP2.37
Rot. Bonds6

About (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363951) has the molecular formula C15H14F4N4O3 and a molecular weight of 374.29 g/mol. Its IUPAC name is (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363951
Molecular FormulaC15H14F4N4O3
Molecular Weight374.29 g/mol
Exact Mass374.10
IUPAC Name(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2
InChIInChI=1S/C15H14F4N4O3/c16-14(17)23-5-7(4-21-23)10-3-11(12(20)24)22-13-9(10)2-1-8(26-13)6-25-15(18)19/h3-5,8,14-15H,1-2,6H2,(H2,20,24)/t8-/m0/s1
InChIKeySTQATWGNSCYSCU-QMMMGPOBSA-N
XLogP2.37
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363951) is (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is NC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2.
What is the InChIKey of (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is STQATWGNSCYSCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H14F4N4O3/c16-14(17)23-5-7(4-21-23)10-3-11(12(20)24)22-13-9(10)2-1-8(26-13)6-25-15(18)19/h3-5,8,14-15H,1-2,6H2,(H2,20,24)/t8-/m0/s1.
What are the key properties of (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 374.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).