N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide

C26H27N7O2 — CID 162645545

IUPACN-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nn2ccc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)nc2c1-c1cnn(C)c1
InChIInChI=1S/C26H27N7O2/c1-14-9-18(10-19-13-32(26(35)22(14)19)15(2)17-5-6-17)21-7-8-33-25(29-21)23(20-11-27-31(4)12-20)24(30-33)28-16(3)34/h7-12,15,17H,5-6,13H2,1-4H3,(H,28,30,34)/t15-/m0/s1
InChIKeyMMBUORMVFSLTCE-HNNXBMFYSA-N
MW469.55 g/mol
LogP3.82
Rot. Bonds5

About N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 162645545) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID162645545
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC NameN-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nn2ccc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)nc2c1-c1cnn(C)c1
InChIInChI=1S/C26H27N7O2/c1-14-9-18(10-19-13-32(26(35)22(14)19)15(2)17-5-6-17)21-7-8-33-25(29-21)23(20-11-27-31(4)12-20)24(30-33)28-16(3)34/h7-12,15,17H,5-6,13H2,1-4H3,(H,28,30,34)/t15-/m0/s1
InChIKeyMMBUORMVFSLTCE-HNNXBMFYSA-N
XLogP3.82
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 162645545) is N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1nn2ccc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)nc2c1-c1cnn(C)c1.
What is the InChIKey of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is MMBUORMVFSLTCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-14-9-18(10-19-13-32(26(35)22(14)19)15(2)17-5-6-17)21-7-8-33-25(29-21)23(20-11-27-31(4)12-20)24(30-33)28-16(3)34/h7-12,15,17H,5-6,13H2,1-4H3,(H,28,30,34)/t15-/m0/s1.
What are the key properties of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 469.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 162645545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).