5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H20N6OS — CID 122542271

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3)c2n1
InChIInChI=1S/C17H20N6OS/c18-13-3-1-2-4-14(13)21-15-5-7-23-16(22-15)12(9-19-23)17(24)20-11-6-8-25-10-11/h5-10,13-14H,1-4,18H2,(H,20,24)(H,21,22)/t13-,14+/m0/s1
InChIKeyAMYWVFGCJILADC-UONOGXRCSA-N
MW356.46 g/mol
LogP2.72
Rot. Bonds4

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122542271) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122542271
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3)c2n1
InChIInChI=1S/C17H20N6OS/c18-13-3-1-2-4-14(13)21-15-5-7-23-16(22-15)12(9-19-23)17(24)20-11-6-8-25-10-11/h5-10,13-14H,1-4,18H2,(H,20,24)(H,21,22)/t13-,14+/m0/s1
InChIKeyAMYWVFGCJILADC-UONOGXRCSA-N
XLogP2.72
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122542271) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3ccsc3)c2n1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AMYWVFGCJILADC-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20N6OS/c18-13-3-1-2-4-14(13)21-15-5-7-23-16(22-15)12(9-19-23)17(24)20-11-6-8-25-10-11/h5-10,13-14H,1-4,18H2,(H,20,24)(H,21,22)/t13-,14+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122542271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).