2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C21H21Cl2N7O3 — CID 59276009

IUPAC2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESNc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1COC1)C2
InChIInChI=1S/C21H21Cl2N7O3/c22-12-6-15(23)18(17(7-12)33-5-4-30-3-1-2-25-30)19-14-8-29(9-16(14)27-20(24)28-19)21(31)26-13-10-32-11-13/h1-3,6-7,13H,4-5,8-11H2,(H,26,31)(H2,24,27,28)
InChIKeyGGAYAMDDSSCTAU-UHFFFAOYSA-N
MW490.35 g/mol
LogP2.73
Rot. Bonds6

About 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 59276009) has the molecular formula C21H21Cl2N7O3 and a molecular weight of 490.35 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID59276009
Molecular FormulaC21H21Cl2N7O3
Molecular Weight490.35 g/mol
Exact Mass489.11
IUPAC Name2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESNc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1COC1)C2
InChIInChI=1S/C21H21Cl2N7O3/c22-12-6-15(23)18(17(7-12)33-5-4-30-3-1-2-25-30)19-14-8-29(9-16(14)27-20(24)28-19)21(31)26-13-10-32-11-13/h1-3,6-7,13H,4-5,8-11H2,(H,26,31)(H2,24,27,28)
InChIKeyGGAYAMDDSSCTAU-UHFFFAOYSA-N
XLogP2.73
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]-N-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 143732418
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59275942
2-amino-N-(cyclobutadienyl)-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 67027152
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59275790
1-[2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]cyclopropane-1-carbonitrile
CID 59275797
4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 53236811
2-amino-N-cyclobutyl-4-(2,4-dichloro-6-phenacyloxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59276012
2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59275786
2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(3-phenylprop-2-enoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 67027216
2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine
CID 158583877
2-amino-N-(cyclobutadienyl)-4-[2,4-dichloro-6-[2-(ethylamino)ethoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 67027179
2-amino-N-(cyclobutadienyl)-4-[2,4-dichloro-6-(2-phenylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 68586742

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 59276009) is 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1COC1)C2.
What is the InChIKey of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is GGAYAMDDSSCTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N7O3/c22-12-6-15(23)18(17(7-12)33-5-4-30-3-1-2-25-30)19-14-8-29(9-16(14)27-20(24)28-19)21(31)26-13-10-32-11-13/h1-3,6-7,13H,4-5,8-11H2,(H,26,31)(H2,24,27,28).
What are the key properties of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 490.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59276009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).