[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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Related Compounds

[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 165419110
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
[4-[2-(butylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 165419116
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one
CID 165425929
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 166621266
1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone
CID 165420264
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
CID 165419680
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone
CID 165428508

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).