7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine

C18H17ClF2N6 — CID 86600302

IUPAC7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine
SMILESFC(F)CN1CC2CC1CN2c1nc(-c2ccnc(Cl)c2)cc2nccn12
InChIInChI=1S/C18H17ClF2N6/c19-15-5-11(1-2-22-15)14-7-17-23-3-4-26(17)18(24-14)27-9-12-6-13(27)8-25(12)10-16(20)21/h1-5,7,12-13,16H,6,8-10H2
InChIKeyZNOOPTUPFYDTSW-UHFFFAOYSA-N
MW390.83 g/mol
LogP2.97
Rot. Bonds4

About 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine

7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine (PubChem CID 86600302) has the molecular formula C18H17ClF2N6 and a molecular weight of 390.83 g/mol. Its IUPAC name is 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine
PubChem CID86600302
Molecular FormulaC18H17ClF2N6
Molecular Weight390.83 g/mol
Exact Mass390.12
IUPAC Name7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine
SMILESFC(F)CN1CC2CC1CN2c1nc(-c2ccnc(Cl)c2)cc2nccn12
InChIInChI=1S/C18H17ClF2N6/c19-15-5-11(1-2-22-15)14-7-17-23-3-4-26(17)18(24-14)27-9-12-6-13(27)8-25(12)10-16(20)21/h1-5,7,12-13,16H,6,8-10H2
InChIKeyZNOOPTUPFYDTSW-UHFFFAOYSA-N
XLogP2.97
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine?
The IUPAC name of 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine (CID 86600302) is 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine is FC(F)CN1CC2CC1CN2c1nc(-c2ccnc(Cl)c2)cc2nccn12.
What is the InChIKey of 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine?
The InChIKey is ZNOOPTUPFYDTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N6/c19-15-5-11(1-2-22-15)14-7-17-23-3-4-26(17)18(24-14)27-9-12-6-13(27)8-25(12)10-16(20)21/h1-5,7,12-13,16H,6,8-10H2.
What are the key properties of 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine?
7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine has a molecular weight of 390.83 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-pyridinyl)-5-[5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 86600302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).