N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide

C21H24N6O2 — CID 88890614

IUPACN-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide
SMILESO=CNc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCCC2)cc1
InChIInChI=1S/C21H24N6O2/c28-14-22-16-7-5-15(6-8-16)19-18-13-23-27(17-3-1-2-4-17)20(18)25-21(24-19)26-9-11-29-12-10-26/h5-8,13-14,17H,1-4,9-12H2,(H,22,28)
InChIKeyGALXZKVCGMFEMZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds5

About N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide

N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide (PubChem CID 88890614) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide
PubChem CID88890614
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide
SMILESO=CNc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCCC2)cc1
InChIInChI=1S/C21H24N6O2/c28-14-22-16-7-5-15(6-8-16)19-18-13-23-27(17-3-1-2-4-17)20(18)25-21(24-19)26-9-11-29-12-10-26/h5-8,13-14,17H,1-4,9-12H2,(H,22,28)
InChIKeyGALXZKVCGMFEMZ-UHFFFAOYSA-N
XLogP3.01
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate;hydrochloride
CID 46202466
N-[4-[6-chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]formamide
CID 88890629
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 46202140
benzyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 58514323
methyl-[4-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamic acid
CID 118036020
6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
CID 89449448
2-amino-1-[4-[4-(2-amino-1,3-thiazol-4-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
CID 46206013
bis([4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone);5-(6-morpholin-4-yl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine;pyridine-3-carboxylic acid;hydrochloride
CID 159616793
1-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 68774816
N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]formamide
CID 172863969
N-butyl-1-cyclohexyl-3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 144944042
methyl 2-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]acetate;1-methyl-3-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 157228605

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide?
The IUPAC name of N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide (CID 88890614) is N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide?
The canonical SMILES for N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide is O=CNc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCCC2)cc1.
What is the InChIKey of N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide?
The InChIKey is GALXZKVCGMFEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-14-22-16-7-5-15(6-8-16)19-18-13-23-27(17-3-1-2-4-17)20(18)25-21(24-19)26-9-11-29-12-10-26/h5-8,13-14,17H,1-4,9-12H2,(H,22,28).
What are the key properties of N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide?
N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide has a molecular weight of 392.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopentyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]formamide is sourced from PubChem (CID 88890614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).