N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide

C12H14N8O — CID 133276027

IUPACN,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(Nc2ncnc3[nH]ncc23)cn1
InChIInChI=1S/C12H14N8O/c1-19(2)10(21)6-20-5-8(3-16-20)17-11-9-4-15-18-12(9)14-7-13-11/h3-5,7H,6H2,1-2H3,(H2,13,14,15,17,18)
InChIKeyJVWGKKNSPDYFIX-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.38
Rot. Bonds4

About N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide

N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide (PubChem CID 133276027) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
PubChem CID133276027
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(Nc2ncnc3[nH]ncc23)cn1
InChIInChI=1S/C12H14N8O/c1-19(2)10(21)6-20-5-8(3-16-20)17-11-9-4-15-18-12(9)14-7-13-11/h3-5,7H,6H2,1-2H3,(H2,13,14,15,17,18)
InChIKeyJVWGKKNSPDYFIX-UHFFFAOYSA-N
XLogP0.38
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide (CID 133276027) is N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide is CN(C)C(=O)Cn1cc(Nc2ncnc3[nH]ncc23)cn1.
What is the InChIKey of N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is JVWGKKNSPDYFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-19(2)10(21)6-20-5-8(3-16-20)17-11-9-4-15-18-12(9)14-7-13-11/h3-5,7H,6H2,1-2H3,(H2,13,14,15,17,18).
What are the key properties of N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 286.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 133276027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).