N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide

C16H12Cl2N4O3 — CID 126797697

IUPACN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1occ2c1CCOC2
InChIInChI=1S/C16H12Cl2N4O3/c17-10-3-13(18)15(19-4-10)22-6-11(5-20-22)21-16(23)14-12-1-2-24-7-9(12)8-25-14/h3-6,8H,1-2,7H2,(H,21,23)
InChIKeyNWUPBUSZUYMLMC-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.49
Rot. Bonds3

About N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide

N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide (PubChem CID 126797697) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
PubChem CID126797697
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1occ2c1CCOC2
InChIInChI=1S/C16H12Cl2N4O3/c17-10-3-13(18)15(19-4-10)22-6-11(5-20-22)21-16(23)14-12-1-2-24-7-9(12)8-25-14/h3-6,8H,1-2,7H2,(H,21,23)
InChIKeyNWUPBUSZUYMLMC-UHFFFAOYSA-N
XLogP3.49
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 166225847
3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride
CID 120873162
3-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97341220
1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine
CID 61175443
[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
CID 17468098
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133377232
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine
CID 133377216
1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
CID 103583920
4-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-3-nitrobenzonitrile
CID 133377236
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
CID 59428132
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide (CID 126797697) is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide is O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1occ2c1CCOC2.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The InChIKey is NWUPBUSZUYMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c17-10-3-13(18)15(19-4-10)22-6-11(5-20-22)21-16(23)14-12-1-2-24-7-9(12)8-25-14/h3-6,8H,1-2,7H2,(H,21,23).
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide is sourced from PubChem (CID 126797697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).