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

C19H19N5O3 — CID 166537389

IUPACN-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C)C2=O
InChIInChI=1S/C19H19N5O3/c1-11(2)27-16-8-13-12(10-23(3)19(13)26)7-15(16)22-18(25)14-9-21-24-6-4-5-20-17(14)24/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyPMTHBGCMHSVVRB-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.35
Rot. Bonds4

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

N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537389) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166537389
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C)C2=O
InChIInChI=1S/C19H19N5O3/c1-11(2)27-16-8-13-12(10-23(3)19(13)26)7-15(16)22-18(25)14-9-21-24-6-4-5-20-17(14)24/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyPMTHBGCMHSVVRB-UHFFFAOYSA-N
XLogP2.35
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536917
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-[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-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146483094
N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146483184
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-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536643
N-[6-ethyl-2-(3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298591
N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536866
N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146483045
N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537379

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537389) is N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[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)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C)C2=O.
What is the InChIKey of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PMTHBGCMHSVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11(2)27-16-8-13-12(10-23(3)19(13)26)7-15(16)22-18(25)14-9-21-24-6-4-5-20-17(14)24/h4-9,11H,10H2,1-3H3,(H,22,25).
What are the key properties of N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166537389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).