3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C17H18ClN5OS — CID 137018617

IUPAC3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(C4(Cl)CC4)cs3)c2[nH]1
InChIInChI=1S/C17H18ClN5OS/c18-17(3-4-17)13-9-25-16(21-13)11-8-20-23-12(7-14(24)22-15(11)23)10-1-5-19-6-2-10/h7-10,19H,1-6H2,(H,22,24)
InChIKeyQSXHRDPCLLRCLS-UHFFFAOYSA-N
MW375.89 g/mol
LogP2.84
Rot. Bonds3

About 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018617) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018617
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC Name3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(C4(Cl)CC4)cs3)c2[nH]1
InChIInChI=1S/C17H18ClN5OS/c18-17(3-4-17)13-9-25-16(21-13)11-8-20-23-12(7-14(24)22-15(11)23)10-1-5-19-6-2-10/h7-10,19H,1-6H2,(H,22,24)
InChIKeyQSXHRDPCLLRCLS-UHFFFAOYSA-N
XLogP2.84
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

US10118930, Example 307
CID 137018557
US10118930, Example 334
CID 137018631
US10118930, Example 351
CID 137018671
US10118930, Example 258
CID 137018306
US10118930, Example 328
CID 137018367
US10118930, Example 259
CID 137018420
US10118930, Example 271
CID 137018526
US10118930, Example 304
CID 137018530
US10118930, Example 250
CID 137018627
US10118930, Example 311
CID 137018654
US10118930, Example 443
CID 137018697
US10118930, Example 335
CID 137018735

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018617) is 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nc(C4(Cl)CC4)cs3)c2[nH]1.
What is the InChIKey of 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QSXHRDPCLLRCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c18-17(3-4-17)13-9-25-16(21-13)11-8-20-23-12(7-14(24)22-15(11)23)10-1-5-19-6-2-10/h7-10,19H,1-6H2,(H,22,24).
What are the key properties of 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 375.89 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-chlorocyclopropyl)-1,3-thiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).