[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

C19H27N5O3 — CID 137220805

IUPAC[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
SMILESCCOC(C)n1cc(C2=NCNc3c2ccn3COC(=O)C(C)(C)C)cn1
InChIInChI=1S/C19H27N5O3/c1-6-26-13(2)24-10-14(9-22-24)16-15-7-8-23(17(15)21-11-20-16)12-27-18(25)19(3,4)5/h7-10,13,21H,6,11-12H2,1-5H3
InChIKeySNNICHNRXNESHK-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.01
Rot. Bonds6

About [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate (PubChem CID 137220805) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
PubChem CID137220805
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
SMILESCCOC(C)n1cc(C2=NCNc3c2ccn3COC(=O)C(C)(C)C)cn1
InChIInChI=1S/C19H27N5O3/c1-6-26-13(2)24-10-14(9-22-24)16-15-7-8-23(17(15)21-11-20-16)12-27-18(25)19(3,4)5/h7-10,13,21H,6,11-12H2,1-5H3
InChIKeySNNICHNRXNESHK-UHFFFAOYSA-N
XLogP3.01
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate 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 [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate (CID 137220805) is [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate is CCOC(C)n1cc(C2=NCNc3c2ccn3COC(=O)C(C)(C)C)cn1.
What is the InChIKey of [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is SNNICHNRXNESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-6-26-13(2)24-10-14(9-22-24)16-15-7-8-23(17(15)21-11-20-16)12-27-18(25)19(3,4)5/h7-10,13,21H,6,11-12H2,1-5H3.
What are the key properties of [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate?
[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 373.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-ethoxyethyl)pyrazol-4-yl]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 137220805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).