(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone

C20H23N7OS — CID 20952135

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N7OS/c28-18(25-10-12-26(13-11-25)19-22-7-3-8-23-19)15-4-2-9-27(14-15)20-24-16-5-1-6-21-17(16)29-20/h1,3,5-8,15H,2,4,9-14H2
InChIKeyNMUZKIVGJVGNKL-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.05
Rot. Bonds3

About (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone (PubChem CID 20952135) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
PubChem CID20952135
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N7OS/c28-18(25-10-12-26(13-11-25)19-22-7-3-8-23-19)15-4-2-9-27(14-15)20-24-16-5-1-6-21-17(16)29-20/h1,3,5-8,15H,2,4,9-14H2
InChIKeyNMUZKIVGJVGNKL-UHFFFAOYSA-N
XLogP2.05
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 93068862
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535706
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-amine
CID 102549121
(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068920
N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92891762
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92765070
N-[(3-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53210372
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(3S)-N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92708784
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952150

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone (CID 20952135) is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone is O=C(C1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone?
The InChIKey is NMUZKIVGJVGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c28-18(25-10-12-26(13-11-25)19-22-7-3-8-23-19)15-4-2-9-27(14-15)20-24-16-5-1-6-21-17(16)29-20/h1,3,5-8,15H,2,4,9-14H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone has a molecular weight of 409.52 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 20952135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).