5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide

C17H17ClN6OS — CID 53168005

IUPAC5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN6OS/c18-15-5-4-14(26-15)16(25)22-12-8-21-24(11-12)17-19-9-13(10-20-17)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H,22,25)
InChIKeyRWBGSWYSWSDRGH-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide

5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 53168005) has the molecular formula C17H17ClN6OS and a molecular weight of 388.88 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID53168005
Molecular FormulaC17H17ClN6OS
Molecular Weight388.88 g/mol
Exact Mass388.09
IUPAC Name5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN6OS/c18-15-5-4-14(26-15)16(25)22-12-8-21-24(11-12)17-19-9-13(10-20-17)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H,22,25)
InChIKeyRWBGSWYSWSDRGH-UHFFFAOYSA-N
XLogP3.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide (CID 53168005) is 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is RWBGSWYSWSDRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6OS/c18-15-5-4-14(26-15)16(25)22-12-8-21-24(11-12)17-19-9-13(10-20-17)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H,22,25).
What are the key properties of 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53168005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).