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

C25H27N7O3 — CID 155383718

IUPAC2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CNC(=O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C25H27N7O3/c1-12-7-15(8-16-11-31(25(35)20(12)16)13(2)14-3-4-14)18-5-6-32-23(29-18)21(22(26)30-32)24(34)28-17-9-19(33)27-10-17/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H2,26,30)(H,27,33)(H,28,34)/t13-,17+/m0/s1
InChIKeyXKONQDZYNDBPBD-SUMWQHHRSA-N
MW473.54 g/mol
LogP1.66
Rot. Bonds5

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

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155383718) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]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-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155383718
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CNC(=O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C25H27N7O3/c1-12-7-15(8-16-11-31(25(35)20(12)16)13(2)14-3-4-14)18-5-6-32-23(29-18)21(22(26)30-32)24(34)28-17-9-19(33)27-10-17/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H2,26,30)(H,27,33)(H,28,34)/t13-,17+/m0/s1
InChIKeyXKONQDZYNDBPBD-SUMWQHHRSA-N
XLogP1.66
TPSA134.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-[(3R)-5-oxopyrrolidin-3-yl]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-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155383718) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]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-[(3R)-5-oxopyrrolidin-3-yl]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-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CNC(=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-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XKONQDZYNDBPBD-SUMWQHHRSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-12-7-15(8-16-11-31(25(35)20(12)16)13(2)14-3-4-14)18-5-6-32-23(29-18)21(22(26)30-32)24(34)28-17-9-19(33)27-10-17/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H2,26,30)(H,27,33)(H,28,34)/t13-,17+/m0/s1.
What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 1.66, 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-[(3R)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155383718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).