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

C27H32N6O3 — CID 155383812

IUPAC2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H]4CCC[C@@H](O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C27H32N6O3/c1-14-10-17(11-18-13-32(27(36)22(14)18)15(2)16-6-7-16)21-8-9-33-25(30-21)23(24(28)31-33)26(35)29-19-4-3-5-20(34)12-19/h8-11,15-16,19-20,34H,3-7,12-13H2,1-2H3,(H2,28,31)(H,29,35)/t15-,19+,20+/m0/s1
InChIKeyWTHATHWVXIXKGS-CWFSZBLJSA-N
MW488.59 g/mol
LogP3.07
Rot. Bonds5

About 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclohexyl]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-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155383812) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 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-hydroxycyclohexyl]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-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155383812
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H]4CCC[C@@H](O)C4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C27H32N6O3/c1-14-10-17(11-18-13-32(27(36)22(14)18)15(2)16-6-7-16)21-8-9-33-25(30-21)23(24(28)31-33)26(35)29-19-4-3-5-20(34)12-19/h8-11,15-16,19-20,34H,3-7,12-13H2,1-2H3,(H2,28,31)(H,29,35)/t15-,19+,20+/m0/s1
InChIKeyWTHATHWVXIXKGS-CWFSZBLJSA-N
XLogP3.07
TPSA125.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.07
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-hydroxycyclohexyl]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-hydroxycyclohexyl]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-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155383812) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclohexyl]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-hydroxycyclohexyl]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-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@@H]4CCC[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-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WTHATHWVXIXKGS-CWFSZBLJSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-14-10-17(11-18-13-32(27(36)22(14)18)15(2)16-6-7-16)21-8-9-33-25(30-21)23(24(28)31-33)26(35)29-19-4-3-5-20(34)12-19/h8-11,15-16,19-20,34H,3-7,12-13H2,1-2H3,(H2,28,31)(H,29,35)/t15-,19+,20+/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-hydroxycyclohexyl]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-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.07, 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-hydroxycyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).