[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C26H28N4OS — CID 134329310

IUPAC[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5cscn5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H28N4OS/c1-16(2)24-21-13-19(4-5-22(21)29-25(24)20-6-9-27-17(3)12-20)18-7-10-30(11-8-18)26(31)23-14-32-15-28-23/h4-6,9,12-16,18,29H,7-8,10-11H2,1-3H3
InChIKeyNFKQWAKEJHFXPL-UHFFFAOYSA-N
MW444.60 g/mol
LogP6.14
Rot. Bonds4

About [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 134329310) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID134329310
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Name[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5cscn5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H28N4OS/c1-16(2)24-21-13-19(4-5-22(21)29-25(24)20-6-9-27-17(3)12-20)18-7-10-30(11-8-18)26(31)23-14-32-15-28-23/h4-6,9,12-16,18,29H,7-8,10-11H2,1-3H3
InChIKeyNFKQWAKEJHFXPL-UHFFFAOYSA-N
XLogP6.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[4-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984701
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 168268899
2-(1H-indol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095485
2-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096000
2-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096003
Bacillamide B
CID 24178902
Bacillamide C
CID 24178996
1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-methylthiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506353
piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(4-thiazolylcarbonyl)-
CID 506354
2-[(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16191006
N-(2-(1H-indol-3-yl)ethyl)-2-(phenylamino)thiazole-4-carboxamide
CID 44069541
4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
CID 44523476

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 134329310) is [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)c5cscn5)CC4)cc3c2C(C)C)ccn1.
What is the InChIKey of [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is NFKQWAKEJHFXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-16(2)24-21-13-19(4-5-22(21)29-25(24)20-6-9-27-17(3)12-20)18-7-10-30(11-8-18)26(31)23-14-32-15-28-23/h4-6,9,12-16,18,29H,7-8,10-11H2,1-3H3.
What are the key properties of [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 444.60 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 134329310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).