1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one

C24H20ClN5O2 — CID 155012419

IUPAC1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one
SMILESCn1nccc1-c1n[nH]c2ccc(-c3ccn(C(CO)c4cccc(Cl)c4)c(=O)c3)cc12
InChIInChI=1S/C24H20ClN5O2/c1-29-21(7-9-26-29)24-19-12-15(5-6-20(19)27-28-24)16-8-10-30(23(32)13-16)22(14-31)17-3-2-4-18(25)11-17/h2-13,22,31H,14H2,1H3,(H,27,28)
InChIKeyNAQMWNNIEVYKOX-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.03
Rot. Bonds5

About 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one

1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one (PubChem CID 155012419) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one
PubChem CID155012419
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one
SMILESCn1nccc1-c1n[nH]c2ccc(-c3ccn(C(CO)c4cccc(Cl)c4)c(=O)c3)cc12
InChIInChI=1S/C24H20ClN5O2/c1-29-21(7-9-26-29)24-19-12-15(5-6-20(19)27-28-24)16-8-10-30(23(32)13-16)22(14-31)17-3-2-4-18(25)11-17/h2-13,22,31H,14H2,1H3,(H,27,28)
InChIKeyNAQMWNNIEVYKOX-UHFFFAOYSA-N
XLogP4.03
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one (CID 155012419) is 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one is Cn1nccc1-c1n[nH]c2ccc(-c3ccn(C(CO)c4cccc(Cl)c4)c(=O)c3)cc12.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one?
The InChIKey is NAQMWNNIEVYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-29-21(7-9-26-29)24-19-12-15(5-6-20(19)27-28-24)16-8-10-30(23(32)13-16)22(14-31)17-3-2-4-18(25)11-17/h2-13,22,31H,14H2,1H3,(H,27,28).
What are the key properties of 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one?
1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one has a molecular weight of 445.91 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[3-(2-methylpyrazol-3-yl)-1H-indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 155012419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).