N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide

C23H25N7OS — CID 42099804

IUPACN-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C23H25N7OS/c31-21(15-19-7-4-14-32-19)24-8-9-30-23-20(16-27-30)22(25-17-26-23)29-12-10-28(11-13-29)18-5-2-1-3-6-18/h1-7,14,16-17H,8-13,15H2,(H,24,31)
InChIKeyVVJFXKQHDBVJHX-UHFFFAOYSA-N
MW447.57 g/mol
LogP2.57
Rot. Bonds7

About N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide

N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 42099804) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID42099804
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC NameN-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C23H25N7OS/c31-21(15-19-7-4-14-32-19)24-8-9-30-23-20(16-27-30)22(25-17-26-23)29-12-10-28(11-13-29)18-5-2-1-3-6-18/h1-7,14,16-17H,8-13,15H2,(H,24,31)
InChIKeyVVJFXKQHDBVJHX-UHFFFAOYSA-N
XLogP2.57
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide (CID 42099804) is N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21.
What is the InChIKey of N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is VVJFXKQHDBVJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c31-21(15-19-7-4-14-32-19)24-8-9-30-23-20(16-27-30)22(25-17-26-23)29-12-10-28(11-13-29)18-5-2-1-3-6-18/h1-7,14,16-17H,8-13,15H2,(H,24,31).
What are the key properties of N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 447.57 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42099804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).