N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C24H28N8OS — CID 27460748

IUPACN-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCn2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)s1
InChIInChI=1S/C24H28N8OS/c1-17-21(34-18(2)29-17)24(33)25-8-9-32-23-20(14-28-32)22(26-16-27-23)31-12-10-30(11-13-31)15-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,33)
InChIKeyNIGRGZUNLBUECV-UHFFFAOYSA-N
MW476.61 g/mol
LogP2.65
Rot. Bonds7

About N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 27460748) has the molecular formula C24H28N8OS and a molecular weight of 476.61 g/mol. Its IUPAC name is N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID27460748
Molecular FormulaC24H28N8OS
Molecular Weight476.61 g/mol
Exact Mass476.21
IUPAC NameN-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCn2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)s1
InChIInChI=1S/C24H28N8OS/c1-17-21(34-18(2)29-17)24(33)25-8-9-32-23-20(14-28-32)22(26-16-27-23)31-12-10-30(11-13-31)15-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,33)
InChIKeyNIGRGZUNLBUECV-UHFFFAOYSA-N
XLogP2.65
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 27460748) is N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCn2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)s1.
What is the InChIKey of N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NIGRGZUNLBUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8OS/c1-17-21(34-18(2)29-17)24(33)25-8-9-32-23-20(14-28-32)22(26-16-27-23)31-12-10-30(11-13-31)15-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,33).
What are the key properties of N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 476.61 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-benzylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27460748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).