N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26N6O4 — CID 166537213

IUPACN-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1cnn3ccc(N4CCOCC4)nc13)CN(C)C2=O
InChIInChI=1S/C23H26N6O4/c1-14(2)33-19-11-16-15(13-27(3)23(16)31)10-18(19)25-22(30)17-12-24-29-5-4-20(26-21(17)29)28-6-8-32-9-7-28/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30)
InChIKeyOVKJXFZUWBHAJM-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.19
Rot. Bonds5

About N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537213) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166537213
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC NameN-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1cnn3ccc(N4CCOCC4)nc13)CN(C)C2=O
InChIInChI=1S/C23H26N6O4/c1-14(2)33-19-11-16-15(13-27(3)23(16)31)10-18(19)25-22(30)17-12-24-29-5-4-20(26-21(17)29)28-6-8-32-9-7-28/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30)
InChIKeyOVKJXFZUWBHAJM-UHFFFAOYSA-N
XLogP2.19
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537389
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599617
N-(2-tert-butyl-6-morpholin-4-yl-3-oxo-1H-isoindol-5-yl)-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 177072682
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
N-[3-(difluoromethyl)-1-methylidenepyrazol-1-ium-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155582660
N-[2-[(2S)-2-fluoro-3-hydroxybutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354425
N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160659318
N-[6-morpholin-4-yl-2-(2-morpholin-4-ylpropyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354409
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061
N-[6-morpholin-4-yl-1-oxo-2-(2-pyrrolidin-1-ylethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137367426
N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137367560
N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129283987

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537213) is N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)c1cnn3ccc(N4CCOCC4)nc13)CN(C)C2=O.
What is the InChIKey of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OVKJXFZUWBHAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-14(2)33-19-11-16-15(13-27(3)23(16)31)10-18(19)25-22(30)17-12-24-29-5-4-20(26-21(17)29)28-6-8-32-9-7-28/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30).
What are the key properties of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166537213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).