5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H27N9O2 — CID 122540819

IUPAC5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12
InChIInChI=1S/C20H27N9O2/c1-27(2)20(31)17-15(11-28(3)26-17)24-19(30)12-10-22-29-9-8-16(25-18(12)29)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H,23,25)(H,24,30)/t13-,14+/m1/s1
InChIKeyJGVGGBDQIFVACW-KGLIPLIRSA-N
MW425.50 g/mol
LogP1.10
Rot. Bonds5

About 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122540819) has the molecular formula C20H27N9O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122540819
Molecular FormulaC20H27N9O2
Molecular Weight425.50 g/mol
Exact Mass425.23
IUPAC Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12
InChIInChI=1S/C20H27N9O2/c1-27(2)20(31)17-15(11-28(3)26-17)24-19(30)12-10-22-29-9-8-16(25-18(12)29)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H,23,25)(H,24,30)/t13-,14+/m1/s1
InChIKeyJGVGGBDQIFVACW-KGLIPLIRSA-N
XLogP1.10
TPSA135.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122540819) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12.
What is the InChIKey of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JGVGGBDQIFVACW-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H27N9O2/c1-27(2)20(31)17-15(11-28(3)26-17)24-19(30)12-10-22-29-9-8-16(25-18(12)29)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H,23,25)(H,24,30)/t13-,14+/m1/s1.
What are the key properties of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122540819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).