10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole

C17H12ClN3O — CID 162662979

IUPAC10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole
SMILESCOc1ccc(-c2cnc3c4c(Cl)cccc4nn3c2)cc1
InChIInChI=1S/C17H12ClN3O/c1-22-13-7-5-11(6-8-13)12-9-19-17-16-14(18)3-2-4-15(16)20-21(17)10-12/h2-10H,1H3
InChIKeyBXIRTMUDNXUEDJ-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.21
Rot. Bonds2

About 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole

10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole (PubChem CID 162662979) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole.

Molecular Properties

Compound Name10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole
PubChem CID162662979
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole
SMILESCOc1ccc(-c2cnc3c4c(Cl)cccc4nn3c2)cc1
InChIInChI=1S/C17H12ClN3O/c1-22-13-7-5-11(6-8-13)12-9-19-17-16-14(18)3-2-4-15(16)20-21(17)10-12/h2-10H,1H3
InChIKeyBXIRTMUDNXUEDJ-UHFFFAOYSA-N
XLogP4.21
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole?
The IUPAC name of 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole (CID 162662979) is 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole.
What is the SMILES notation for 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole?
The canonical SMILES for 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole is COc1ccc(-c2cnc3c4c(Cl)cccc4nn3c2)cc1.
What is the InChIKey of 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole?
The InChIKey is BXIRTMUDNXUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-22-13-7-5-11(6-8-13)12-9-19-17-16-14(18)3-2-4-15(16)20-21(17)10-12/h2-10H,1H3.
What are the key properties of 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole?
10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole has a molecular weight of 309.76 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole is sourced from PubChem (CID 162662979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).