6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide

C20H22F2N4O3 — CID 121364960

IUPAC6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28)
InChIKeySAXMIUJPMUUWAN-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.23
Rot. Bonds7

About 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 121364960) has the molecular formula C20H22F2N4O3 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID121364960
Molecular FormulaC20H22F2N4O3
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28)
InChIKeySAXMIUJPMUUWAN-UHFFFAOYSA-N
XLogP3.23
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide (CID 121364960) is 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is SAXMIUJPMUUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28).
What are the key properties of 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121364960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).