N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride

C20H21ClF2N4O3 — CID 155438577

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1C(=O)Nc1cccc(C(F)F)n1.Cl
InChIInChI=1S/C20H20F2N4O3.ClH/c1-28-17-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-14(17)20(27)24-18-4-2-3-15(23-18)19(21)22;/h2-4,9-11,13,19H,5-8H2,1H3,(H,23,24,27);1H
InChIKeyAXWTXBNKRZAQBL-UHFFFAOYSA-N
MW438.86 g/mol
LogP4.40
Rot. Bonds5

About N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride

N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride (PubChem CID 155438577) has the molecular formula C20H21ClF2N4O3 and a molecular weight of 438.86 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride
PubChem CID155438577
Molecular FormulaC20H21ClF2N4O3
Molecular Weight438.86 g/mol
Exact Mass438.13
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1C(=O)Nc1cccc(C(F)F)n1.Cl
InChIInChI=1S/C20H20F2N4O3.ClH/c1-28-17-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-14(17)20(27)24-18-4-2-3-15(23-18)19(21)22;/h2-4,9-11,13,19H,5-8H2,1H3,(H,23,24,27);1H
InChIKeyAXWTXBNKRZAQBL-UHFFFAOYSA-N
XLogP4.40
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride (CID 155438577) is N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride is COc1cc2nn(C3CCOCC3)cc2cc1C(=O)Nc1cccc(C(F)F)n1.Cl.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride?
The InChIKey is AXWTXBNKRZAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3.ClH/c1-28-17-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-14(17)20(27)24-18-4-2-3-15(23-18)19(21)22;/h2-4,9-11,13,19H,5-8H2,1H3,(H,23,24,27);1H.
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride?
N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride has a molecular weight of 438.86 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(oxan-4-yl)indazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 155438577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).