N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide

C19H14F2N4O3 — CID 142427453

IUPACN-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide
SMILESCc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cncc3ccoc23)c1
InChIInChI=1S/C19H14F2N4O3/c1-10-2-3-15(28-19(20)21)12(6-10)16-14(9-23-25-16)24-18(26)13-8-22-7-11-4-5-27-17(11)13/h2-9,19H,1H3,(H,23,25)(H,24,26)
InChIKeyKGXILXRMQPXGSD-UHFFFAOYSA-N
MW384.34 g/mol
LogP4.38
Rot. Bonds5

About N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide

N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide (PubChem CID 142427453) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide
PubChem CID142427453
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC NameN-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide
SMILESCc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cncc3ccoc23)c1
InChIInChI=1S/C19H14F2N4O3/c1-10-2-3-15(28-19(20)21)12(6-10)16-14(9-23-25-16)24-18(26)13-8-22-7-11-4-5-27-17(11)13/h2-9,19H,1H3,(H,23,25)(H,24,26)
InChIKeyKGXILXRMQPXGSD-UHFFFAOYSA-N
XLogP4.38
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide (CID 142427453) is N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide is Cc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cncc3ccoc23)c1.
What is the InChIKey of N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide?
The InChIKey is KGXILXRMQPXGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c1-10-2-3-15(28-19(20)21)12(6-10)16-14(9-23-25-16)24-18(26)13-8-22-7-11-4-5-27-17(11)13/h2-9,19H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide?
N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 142427453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).