2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H30N6O3 — CID 155735594

IUPAC2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H]4CC[C@@H](O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C26H30N6O3/c1-13-9-16(10-17-12-31(26(35)21(13)17)14(2)15-3-4-15)20-7-8-32-24(29-20)22(23(27)30-32)25(34)28-18-5-6-19(33)11-18/h7-10,14-15,18-19,33H,3-6,11-12H2,1-2H3,(H2,27,30)(H,28,34)/t14-,18+,19+/m0/s1
InChIKeyBJAFXPJUBHYAHR-GDIGMMSISA-N
MW474.57 g/mol
LogP2.68
Rot. Bonds5

About 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155735594) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155735594
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H]4CC[C@@H](O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C26H30N6O3/c1-13-9-16(10-17-12-31(26(35)21(13)17)14(2)15-3-4-15)20-7-8-32-24(29-20)22(23(27)30-32)25(34)28-18-5-6-19(33)11-18/h7-10,14-15,18-19,33H,3-6,11-12H2,1-2H3,(H2,27,30)(H,28,34)/t14-,18+,19+/m0/s1
InChIKeyBJAFXPJUBHYAHR-GDIGMMSISA-N
XLogP2.68
TPSA125.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155735594) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H]4CC[C@@H](O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BJAFXPJUBHYAHR-GDIGMMSISA-N. The full InChI is InChI=1S/C26H30N6O3/c1-13-9-16(10-17-12-31(26(35)21(13)17)14(2)15-3-4-15)20-7-8-32-24(29-20)22(23(27)30-32)25(34)28-18-5-6-19(33)11-18/h7-10,14-15,18-19,33H,3-6,11-12H2,1-2H3,(H2,27,30)(H,28,34)/t14-,18+,19+/m0/s1.
What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155735594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).