3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

C19H16ClN5OS — CID 135334165

IUPAC3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESO=c1c(-c2cc(NCc3ccc(Cl)s3)n[nH]2)cccn1Cc1ccccn1
InChIInChI=1S/C19H16ClN5OS/c20-17-7-6-14(27-17)11-22-18-10-16(23-24-18)15-5-3-9-25(19(15)26)12-13-4-1-2-8-21-13/h1-10H,11-12H2,(H2,22,23,24)
InChIKeyRREADKMHMTUVGG-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.01
Rot. Bonds6

About 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (PubChem CID 135334165) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
PubChem CID135334165
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESO=c1c(-c2cc(NCc3ccc(Cl)s3)n[nH]2)cccn1Cc1ccccn1
InChIInChI=1S/C19H16ClN5OS/c20-17-7-6-14(27-17)11-22-18-10-16(23-24-18)15-5-3-9-25(19(15)26)12-13-4-1-2-8-21-13/h1-10H,11-12H2,(H2,22,23,24)
InChIKeyRREADKMHMTUVGG-UHFFFAOYSA-N
XLogP4.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (CID 135334165) is 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is O=c1c(-c2cc(NCc3ccc(Cl)s3)n[nH]2)cccn1Cc1ccccn1.
What is the InChIKey of 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The InChIKey is RREADKMHMTUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c20-17-7-6-14(27-17)11-22-18-10-16(23-24-18)15-5-3-9-25(19(15)26)12-13-4-1-2-8-21-13/h1-10H,11-12H2,(H2,22,23,24).
What are the key properties of 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one has a molecular weight of 397.89 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 135334165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).