5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine

C12H14Cl2N4 — CID 58029373

IUPAC5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESC[C@H]1CC[C@@H](c2cc3nc(Cl)cc(Cl)n3n2)NC1
InChIInChI=1S/C12H14Cl2N4/c1-7-2-3-8(15-6-7)9-4-12-16-10(13)5-11(14)18(12)17-9/h4-5,7-8,15H,2-3,6H2,1H3/t7-,8-/m0/s1
InChIKeyDGIMTCGAWNGEHP-YUMQZZPRSA-N
MW285.18 g/mol
LogP3.10
Rot. Bonds1

About 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine

5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 58029373) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID58029373
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESC[C@H]1CC[C@@H](c2cc3nc(Cl)cc(Cl)n3n2)NC1
InChIInChI=1S/C12H14Cl2N4/c1-7-2-3-8(15-6-7)9-4-12-16-10(13)5-11(14)18(12)17-9/h4-5,7-8,15H,2-3,6H2,1H3/t7-,8-/m0/s1
InChIKeyDGIMTCGAWNGEHP-YUMQZZPRSA-N
XLogP3.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine 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 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 58029373) is 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine is C[C@H]1CC[C@@H](c2cc3nc(Cl)cc(Cl)n3n2)NC1.
What is the InChIKey of 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DGIMTCGAWNGEHP-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-7-2-3-8(15-6-7)9-4-12-16-10(13)5-11(14)18(12)17-9/h4-5,7-8,15H,2-3,6H2,1H3/t7-,8-/m0/s1.
What are the key properties of 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 285.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(2S,5S)-5-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58029373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).