2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide

C18H16ClN5O2 — CID 166581235

IUPAC2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(C[C@@H]1CCOc2cc(Cl)ccc21)Nc1cc(-c2ccnnc2)[nH]n1
InChIInChI=1S/C18H16ClN5O2/c19-13-1-2-14-11(4-6-26-16(14)8-13)7-18(25)22-17-9-15(23-24-17)12-3-5-20-21-10-12/h1-3,5,8-11H,4,6-7H2,(H2,22,23,24,25)/t11-/m0/s1
InChIKeyJDUWPMUYDJLTCW-NSHDSACASA-N
MW369.81 g/mol
LogP3.41
Rot. Bonds4

About 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide

2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 166581235) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide
PubChem CID166581235
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(C[C@@H]1CCOc2cc(Cl)ccc21)Nc1cc(-c2ccnnc2)[nH]n1
InChIInChI=1S/C18H16ClN5O2/c19-13-1-2-14-11(4-6-26-16(14)8-13)7-18(25)22-17-9-15(23-24-17)12-3-5-20-21-10-12/h1-3,5,8-11H,4,6-7H2,(H2,22,23,24,25)/t11-/m0/s1
InChIKeyJDUWPMUYDJLTCW-NSHDSACASA-N
XLogP3.41
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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JAG-UCB-52b62a6f-16
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1-{4-[3-(4-Chlorophenyl)-1H-pyrazol-5-YL]piperazin-1-YL}-3-(2-methoxyphenyl)propan-1-one
CID 75527305
3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 4975707
3-(4-Chlorophenyl)-4-(2-ethoxyphenyl)-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135413613
3-(4-Chlorophenyl)-4-[4-(prop-2-EN-1-yloxy)phenyl]-1H,4H,5H,7H-pyrazolo[3,4-B]pyridin-6-one
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4-{2-[(2-Chlorophenyl)methoxy]phenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
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4-{2-[(3-Chlorophenyl)methoxy]phenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 136080380
4-{2-[(4-Chlorophenyl)methoxy]phenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 136080381
5-chloro-2-[(4-chloro-5-fluoro-2-methoxyphenyl)methyl]-N-(2-pyridazin-4-yltriazol-4-yl)pentanamide
CID 172246519
(1'S,4R)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-6-fluorospiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128993816
7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide (CID 166581235) is 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide is O=C(C[C@@H]1CCOc2cc(Cl)ccc21)Nc1cc(-c2ccnnc2)[nH]n1.
What is the InChIKey of 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is JDUWPMUYDJLTCW-NSHDSACASA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-13-1-2-14-11(4-6-26-16(14)8-13)7-18(25)22-17-9-15(23-24-17)12-3-5-20-21-10-12/h1-3,5,8-11H,4,6-7H2,(H2,22,23,24,25)/t11-/m0/s1.
What are the key properties of 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide?
2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 369.81 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 166581235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).