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

C22H23Cl2N7O2 — CID 59275942

IUPAC2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC1(NC(=O)N2Cc3nc(N)nc(-c4c(Cl)cc(Cl)cc4OCCn4cccn4)c3C2)CC1
InChIInChI=1S/C22H23Cl2N7O2/c1-22(3-4-22)29-21(32)30-11-14-16(12-30)27-20(25)28-19(14)18-15(24)9-13(23)10-17(18)33-8-7-31-6-2-5-26-31/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,29,32)(H2,25,27,28)
InChIKeyONEDBPQXQPPTBO-UHFFFAOYSA-N
MW488.38 g/mol
LogP3.89
Rot. Bonds6

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

2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 59275942) has the molecular formula C22H23Cl2N7O2 and a molecular weight of 488.38 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID59275942
Molecular FormulaC22H23Cl2N7O2
Molecular Weight488.38 g/mol
Exact Mass487.13
IUPAC Name2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC1(NC(=O)N2Cc3nc(N)nc(-c4c(Cl)cc(Cl)cc4OCCn4cccn4)c3C2)CC1
InChIInChI=1S/C22H23Cl2N7O2/c1-22(3-4-22)29-21(32)30-11-14-16(12-30)27-20(25)28-19(14)18-15(24)9-13(23)10-17(18)33-8-7-31-6-2-5-26-31/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,29,32)(H2,25,27,28)
InChIKeyONEDBPQXQPPTBO-UHFFFAOYSA-N
XLogP3.89
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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-(oxetan-3-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59276009
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
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
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-(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
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
ethyl 2-amino-4-(2,4-dichloro-5-ethylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59275825
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 59275942) is 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is CC1(NC(=O)N2Cc3nc(N)nc(-c4c(Cl)cc(Cl)cc4OCCn4cccn4)c3C2)CC1.
What is the InChIKey of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is ONEDBPQXQPPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N7O2/c1-22(3-4-22)29-21(32)30-11-14-16(12-30)27-20(25)28-19(14)18-15(24)9-13(23)10-17(18)33-8-7-31-6-2-5-26-31/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,29,32)(H2,25,27,28).
What are the key properties of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 488.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-(1-methylcyclopropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59275942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).