9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

C15H15N3OS — CID 136841410

IUPAC9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCOc1ccc2nn3c(c2c1)NCCC3c1cccs1
InChIInChI=1S/C15H15N3OS/c1-19-10-4-5-12-11(9-10)15-16-7-6-13(18(15)17-12)14-3-2-8-20-14/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyMFNQTTYIMHRRBQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.51
Rot. Bonds2

About 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (PubChem CID 136841410) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
PubChem CID136841410
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCOc1ccc2nn3c(c2c1)NCCC3c1cccs1
InChIInChI=1S/C15H15N3OS/c1-19-10-4-5-12-11(9-10)15-16-7-6-13(18(15)17-12)14-3-2-8-20-14/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyMFNQTTYIMHRRBQ-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841401
9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841405
3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841199
4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 137012283
2-(4-methylphenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709447
7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840344
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841108
7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838062
ethyl 7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136933776
4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136840782
2-cyclobutyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840532
(7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
CID 136837739

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The IUPAC name of 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (CID 136841410) is 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.
What is the SMILES notation for 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The canonical SMILES for 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is COc1ccc2nn3c(c2c1)NCCC3c1cccs1.
What is the InChIKey of 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The InChIKey is MFNQTTYIMHRRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-10-4-5-12-11(9-10)15-16-7-6-13(18(15)17-12)14-3-2-8-20-14/h2-5,8-9,13,16H,6-7H2,1H3.
What are the key properties of 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole has a molecular weight of 285.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is sourced from PubChem (CID 136841410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).