2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23ClN6O2 — CID 155384214

IUPAC2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(Cl)c2C1=O
InChIInChI=1S/C23H23ClN6O2/c1-11(12-2-3-12)29-10-14-8-13(9-16(24)18(14)23(29)32)17-6-7-30-21(27-17)19(20(25)28-30)22(31)26-15-4-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H2,25,28)(H,26,31)/t11-/m0/s1
InChIKeyAXENGEDOMHZTNY-NSHDSACASA-N
MW450.93 g/mol
LogP3.28
Rot. Bonds5

About 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155384214) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155384214
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(Cl)c2C1=O
InChIInChI=1S/C23H23ClN6O2/c1-11(12-2-3-12)29-10-14-8-13(9-16(24)18(14)23(29)32)17-6-7-30-21(27-17)19(20(25)28-30)22(31)26-15-4-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H2,25,28)(H,26,31)/t11-/m0/s1
InChIKeyAXENGEDOMHZTNY-NSHDSACASA-N
XLogP3.28
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155384214) is 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(Cl)c2C1=O.
What is the InChIKey of 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AXENGEDOMHZTNY-NSHDSACASA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-11(12-2-3-12)29-10-14-8-13(9-16(24)18(14)23(29)32)17-6-7-30-21(27-17)19(20(25)28-30)22(31)26-15-4-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H2,25,28)(H,26,31)/t11-/m0/s1.
What are the key properties of 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155384214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).