5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C19H22N6O — CID 118380620

IUPAC5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cccc1N1CCOCC1
InChIInChI=1S/C19H22N6O/c1-12-14(3-2-4-16(12)25-7-9-26-10-8-25)21-19-17-15(11-20-24-17)22-18(23-19)13-5-6-13/h2-4,11,13H,5-10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyDEJTVMMVQNEHRS-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.12
Rot. Bonds4

About 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 118380620) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID118380620
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cccc1N1CCOCC1
InChIInChI=1S/C19H22N6O/c1-12-14(3-2-4-16(12)25-7-9-26-10-8-25)21-19-17-15(11-20-24-17)22-18(23-19)13-5-6-13/h2-4,11,13H,5-10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyDEJTVMMVQNEHRS-UHFFFAOYSA-N
XLogP3.12
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one
CID 90104754
5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103675
N-(1-tert-butylpyrazol-4-yl)-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90105278
5-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138155
5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138008
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104465
N-(4-morpholin-4-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104809
N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138160
N-(4-morpholin-4-ylphenyl)-5-(1,3-oxazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 118380597
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
2-methyl-4-[7-(4-morpholin-4-ylanilino)-1H-pyrazolo[4,5-d]pyrimidin-5-yl]benzoic acid
CID 118413153
5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104246

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 118380620) is 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Cc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cccc1N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DEJTVMMVQNEHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-14(3-2-4-16(12)25-7-9-26-10-8-25)21-19-17-15(11-20-24-17)22-18(23-19)13-5-6-13/h2-4,11,13H,5-10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 350.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 118380620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).