[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

C18H19N9OS — CID 87002483

IUPAC[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cs2)cn1
InChIInChI=1S/C18H19N9OS/c1-24-9-12(7-21-24)17-23-14(10-29-17)18(28)27-5-3-26(4-6-27)16-13-8-22-25(2)15(13)19-11-20-16/h7-11H,3-6H2,1-2H3
InChIKeyQELLQZNQBPDXSY-UHFFFAOYSA-N
MW409.48 g/mol
LogP1.18
Rot. Bonds3

About [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 87002483) has the molecular formula C18H19N9OS and a molecular weight of 409.48 g/mol. Its IUPAC name is [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
PubChem CID87002483
Molecular FormulaC18H19N9OS
Molecular Weight409.48 g/mol
Exact Mass409.14
IUPAC Name[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cs2)cn1
InChIInChI=1S/C18H19N9OS/c1-24-9-12(7-21-24)17-23-14(10-29-17)18(28)27-5-3-26(4-6-27)16-13-8-22-25(2)15(13)19-11-20-16/h7-11H,3-6H2,1-2H3
InChIKeyQELLQZNQBPDXSY-UHFFFAOYSA-N
XLogP1.18
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 29327180
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55792143
(3,5-dimethoxy-4-methylphenyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123227
(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 112814573
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120
(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123711
(3-methyl-2-nitrophenyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16962649
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 78903023
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 86881022
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 31123489
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 17489095

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (CID 87002483) is [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is Cn1cc(-c2nc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cs2)cn1.
What is the InChIKey of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is QELLQZNQBPDXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9OS/c1-24-9-12(7-21-24)17-23-14(10-29-17)18(28)27-5-3-26(4-6-27)16-13-8-22-25(2)15(13)19-11-20-16/h7-11H,3-6H2,1-2H3.
What are the key properties of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 409.48 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 87002483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).