6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide

C20H20F2N4O3 — CID 137377428

IUPAC6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H20F2N4O3/c1-28-18-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-17(18)24-20(27)15-4-2-3-14(23-15)19(21)22/h2-4,9-11,13,19H,5-8H2,1H3,(H,24,27)
InChIKeyIMDFGRCSXWDYBX-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.98
Rot. Bonds5

About 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 137377428) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID137377428
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H20F2N4O3/c1-28-18-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-17(18)24-20(27)15-4-2-3-14(23-15)19(21)22/h2-4,9-11,13,19H,5-8H2,1H3,(H,24,27)
InChIKeyIMDFGRCSXWDYBX-UHFFFAOYSA-N
XLogP3.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide (CID 137377428) is 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is IMDFGRCSXWDYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-28-18-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-17(18)24-20(27)15-4-2-3-14(23-15)19(21)22/h2-4,9-11,13,19H,5-8H2,1H3,(H,24,27).
What are the key properties of 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 137377428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).