(2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

C23H27N9OS — CID 58662034

IUPAC(2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCCc1nc(Cn2ncc3c(N4CCN(C(=O)c5cnc(C)nc5C)CC4)ncnc32)cs1
InChIInChI=1S/C23H27N9OS/c1-4-5-20-29-17(13-34-20)12-32-22-19(11-27-32)21(25-14-26-22)30-6-8-31(9-7-30)23(33)18-10-24-16(3)28-15(18)2/h10-11,13-14H,4-9,12H2,1-3H3
InChIKeyGQXVHTCKNFUYPN-UHFFFAOYSA-N
MW477.60 g/mol
LogP2.65
Rot. Bonds6

About (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 58662034) has the molecular formula C23H27N9OS and a molecular weight of 477.60 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID58662034
Molecular FormulaC23H27N9OS
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCCc1nc(Cn2ncc3c(N4CCN(C(=O)c5cnc(C)nc5C)CC4)ncnc32)cs1
InChIInChI=1S/C23H27N9OS/c1-4-5-20-29-17(13-34-20)12-32-22-19(11-27-32)21(25-14-26-22)30-6-8-31(9-7-30)23(33)18-10-24-16(3)28-15(18)2/h10-11,13-14H,4-9,12H2,1-3H3
InChIKeyGQXVHTCKNFUYPN-UHFFFAOYSA-N
XLogP2.65
TPSA105.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexyl]-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 69298922
(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123711
furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 134052464
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-[6-[[4-[4-(4-piperidin-1-ylcyclohexanecarbonyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-2-pyridinyl]propan-1-one
CID 23582158
(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 29327180
[4-[[1-(aminomethyl)cyclopropyl]methoxy]phenyl]-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 69301235
[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
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16617318
[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 138383444
2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid
CID 61487631
1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86816078

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 58662034) is (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone is CCCc1nc(Cn2ncc3c(N4CCN(C(=O)c5cnc(C)nc5C)CC4)ncnc32)cs1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is GQXVHTCKNFUYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9OS/c1-4-5-20-29-17(13-34-20)12-32-22-19(11-27-32)21(25-14-26-22)30-6-8-31(9-7-30)23(33)18-10-24-16(3)28-15(18)2/h10-11,13-14H,4-9,12H2,1-3H3.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 477.60 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[4-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 58662034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).