2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide

C20H25N7O2 — CID 164633812

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)n1
InChIInChI=1S/C20H25N7O2/c1-14-9-15(2)27(23-14)13-19(28)22-11-16-5-3-7-25(12-16)20(29)17-10-18-21-6-4-8-26(18)24-17/h4,6,8-10,16H,3,5,7,11-13H2,1-2H3,(H,22,28)/t16-/m1/s1
InChIKeyTWFSXKCQDQRCDJ-MRXNPFEDSA-N
MW395.47 g/mol
LogP1.21
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide (PubChem CID 164633812) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide
PubChem CID164633812
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)n1
InChIInChI=1S/C20H25N7O2/c1-14-9-15(2)27(23-14)13-19(28)22-11-16-5-3-7-25(12-16)20(29)17-10-18-21-6-4-8-26(18)24-17/h4,6,8-10,16H,3,5,7,11-13H2,1-2H3,(H,22,28)/t16-/m1/s1
InChIKeyTWFSXKCQDQRCDJ-MRXNPFEDSA-N
XLogP1.21
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide (CID 164633812) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide is Cc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is TWFSXKCQDQRCDJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-14-9-15(2)27(23-14)13-19(28)22-11-16-5-3-7-25(12-16)20(29)17-10-18-21-6-4-8-26(18)24-17/h4,6,8-10,16H,3,5,7,11-13H2,1-2H3,(H,22,28)/t16-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 164633812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).