N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide

C20H23FN6O2 — CID 71004349

IUPACN-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F
InChIInChI=1S/C20H23FN6O2/c1-12(2)20(28)24-15-5-4-13(10-14(15)21)17-16-18(26(3)25-17)22-11-23-19(16)27-6-8-29-9-7-27/h4-5,10-12H,6-9H2,1-3H3,(H,24,28)
InChIKeyDGMVTBBTFRBZGD-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.60
Rot. Bonds4

About N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide

N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide (PubChem CID 71004349) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide
PubChem CID71004349
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC NameN-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F
InChIInChI=1S/C20H23FN6O2/c1-12(2)20(28)24-15-5-4-13(10-14(15)21)17-16-18(26(3)25-17)22-11-23-19(16)27-6-8-29-9-7-27/h4-5,10-12H,6-9H2,1-3H3,(H,24,28)
InChIKeyDGMVTBBTFRBZGD-UHFFFAOYSA-N
XLogP2.60
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575
1-[2-fluoro-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 10144754
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide
CID 95140797
(2R)-N-(4-chloro-2-fluorophenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8992292
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26382172
(2S)-N-(2,4-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 26249351
2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 175867784
1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43992816
1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[2-fluoro-4-[1-methyl-6-(3-morpholin-4-ylpropylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea
CID 10120176
1-[4-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-3-[3-(3-fluoro-2-methylbutan-2-yl)-1,2-oxazol-5-yl]urea
CID 170000301

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide (CID 71004349) is N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F.
What is the InChIKey of N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide?
The InChIKey is DGMVTBBTFRBZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-12(2)20(28)24-15-5-4-13(10-14(15)21)17-16-18(26(3)25-17)22-11-23-19(16)27-6-8-29-9-7-27/h4-5,10-12H,6-9H2,1-3H3,(H,24,28).
What are the key properties of N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide?
N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide has a molecular weight of 398.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 71004349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).