6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one

C22H18ClN5O — CID 137430504

IUPAC6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one
SMILESCC#CC(C)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C22H18ClN5O/c1-3-7-13(2)25-21-22(29)27-20(19(26-21)14-8-5-4-6-9-14)15-10-16-12-24-28-18(16)17(23)11-15/h4-6,8-13H,1-2H3,(H,24,28)(H,25,26)(H,27,29)
InChIKeyHJEKLBRKOMFAMD-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.46
Rot. Bonds4

About 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one

6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one (PubChem CID 137430504) has the molecular formula C22H18ClN5O and a molecular weight of 403.87 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one
PubChem CID137430504
Molecular FormulaC22H18ClN5O
Molecular Weight403.87 g/mol
Exact Mass403.12
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one
SMILESCC#CC(C)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C22H18ClN5O/c1-3-7-13(2)25-21-22(29)27-20(19(26-21)14-8-5-4-6-9-14)15-10-16-12-24-28-18(16)17(23)11-15/h4-6,8-13H,1-2H3,(H,24,28)(H,25,26)(H,27,29)
InChIKeyHJEKLBRKOMFAMD-UHFFFAOYSA-N
XLogP4.46
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(7-chloro-1H-indazol-5-yl)-3-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
CID 137431839
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 137430390
(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
CID 137431840
(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
CID 137431331
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438636
6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438412
4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438644
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430364
6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 137438594

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one (CID 137430504) is 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one is CC#CC(C)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one?
The InChIKey is HJEKLBRKOMFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O/c1-3-7-13(2)25-21-22(29)27-20(19(26-21)14-8-5-4-6-9-14)15-10-16-12-24-28-18(16)17(23)11-15/h4-6,8-13H,1-2H3,(H,24,28)(H,25,26)(H,27,29).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one?
6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one has a molecular weight of 403.87 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one is sourced from PubChem (CID 137430504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).