2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

C24H18ClN5O2 — CID 154656438

IUPAC2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1COC1CC1
InChIInChI=1S/C24H18ClN5O2/c25-18-9-14(8-15-11-26-30-20(15)18)22-21(13-4-2-1-3-5-13)28-23-19(27-22)10-16(24(31)29-23)12-32-17-6-7-17/h1-5,8-11,17H,6-7,12H2,(H,26,30)(H,28,29,31)
InChIKeyYLVJNOVAIXURCT-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.86
Rot. Bonds5

About 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154656438) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154656438
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC Name2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1COC1CC1
InChIInChI=1S/C24H18ClN5O2/c25-18-9-14(8-15-11-26-30-20(15)18)22-21(13-4-2-1-3-5-13)28-23-19(27-22)10-16(24(31)29-23)12-32-17-6-7-17/h1-5,8-11,17H,6-7,12H2,(H,26,30)(H,28,29,31)
InChIKeyYLVJNOVAIXURCT-UHFFFAOYSA-N
XLogP4.86
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154656438) is 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1COC1CC1.
What is the InChIKey of 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is YLVJNOVAIXURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c25-18-9-14(8-15-11-26-30-20(15)18)22-21(13-4-2-1-3-5-13)28-23-19(27-22)10-16(24(31)29-23)12-32-17-6-7-17/h1-5,8-11,17H,6-7,12H2,(H,26,30)(H,28,29,31).
What are the key properties of 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 443.89 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154656438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).