[4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C23H22N6OS — CID 165417878

IUPAC[4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2ccccc2)(c2csc(Nc3ccncc3)n2)CC1
InChIInChI=1S/C23H22N6OS/c30-21(19-8-13-25-28-19)29-14-9-23(10-15-29,17-4-2-1-3-5-17)20-16-31-22(27-20)26-18-6-11-24-12-7-18/h1-8,11-13,16H,9-10,14-15H2,(H,25,28)(H,24,26,27)
InChIKeyJIAXNCPGNHFXSU-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.23
Rot. Bonds5

About [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 165417878) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID165417878
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name[4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2ccccc2)(c2csc(Nc3ccncc3)n2)CC1
InChIInChI=1S/C23H22N6OS/c30-21(19-8-13-25-28-19)29-14-9-23(10-15-29,17-4-2-1-3-5-17)20-16-31-22(27-20)26-18-6-11-24-12-7-18/h1-8,11-13,16H,9-10,14-15H2,(H,25,28)(H,24,26,27)
InChIKeyJIAXNCPGNHFXSU-UHFFFAOYSA-N
XLogP4.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 165417878) is [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC(c2ccccc2)(c2csc(Nc3ccncc3)n2)CC1.
What is the InChIKey of [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is JIAXNCPGNHFXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c30-21(19-8-13-25-28-19)29-14-9-23(10-15-29,17-4-2-1-3-5-17)20-16-31-22(27-20)26-18-6-11-24-12-7-18/h1-8,11-13,16H,9-10,14-15H2,(H,25,28)(H,24,26,27).
What are the key properties of [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 430.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 165417878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).