2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

C19H18N4O2 — CID 124563133

IUPAC2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESO=C(C[C@H]1OCCc2ccccc21)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H18N4O2/c24-18(13-17-15-6-2-1-5-14(15)8-12-25-17)22-16-7-3-9-20-19(16)23-11-4-10-21-23/h1-7,9-11,17H,8,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyJCFNPJDMUICRHF-QGZVFWFLSA-N
MW334.38 g/mol
LogP2.91
Rot. Bonds4

About 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (PubChem CID 124563133) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
PubChem CID124563133
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESO=C(C[C@H]1OCCc2ccccc21)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H18N4O2/c24-18(13-17-15-6-2-1-5-14(15)8-12-25-17)22-16-7-3-9-20-19(16)23-11-4-10-21-23/h1-7,9-11,17H,8,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyJCFNPJDMUICRHF-QGZVFWFLSA-N
XLogP2.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-2-yl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide;dihydrochloride
CID 119846885
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 119846883
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 124563433
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 124563434
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide
CID 99818724
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
CID 119428540
3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 60567720
(3S)-1-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-3,4-dihydroisochromene-3-carboxamide
CID 39167010

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (CID 124563133) is 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is O=C(C[C@H]1OCCc2ccccc21)Nc1cccnc1-n1cccn1.
What is the InChIKey of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The InChIKey is JCFNPJDMUICRHF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(13-17-15-6-2-1-5-14(15)8-12-25-17)22-16-7-3-9-20-19(16)23-11-4-10-21-23/h1-7,9-11,17H,8,12-13H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 124563133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).