4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

C14H19N3O — CID 137012283

IUPAC4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCCC1C(C)CNc2c3cc(OC)ccc3nn21
InChIInChI=1S/C14H19N3O/c1-4-13-9(2)8-15-14-11-7-10(18-3)5-6-12(11)16-17(13)14/h5-7,9,13,15H,4,8H2,1-3H3
InChIKeyNVMQWIJZTXICKH-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.06
Rot. Bonds2

About 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (PubChem CID 137012283) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
PubChem CID137012283
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCCC1C(C)CNc2c3cc(OC)ccc3nn21
InChIInChI=1S/C14H19N3O/c1-4-13-9(2)8-15-14-11-7-10(18-3)5-6-12(11)16-17(13)14/h5-7,9,13,15H,4,8H2,1-3H3
InChIKeyNVMQWIJZTXICKH-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841405
9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841401
9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841410
3-[2-[2-(diethylamino)-5-methoxyindazol-3-yl]ethynyl]-N,N-diethyl-5-methoxyindazol-2-amine
CID 101400139
(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235634
2-ethyl-5-methoxyindazole
CID 10856015
2-(3-chlorophenyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839679
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841144
6-methoxy-4-methyl-N-pyrrolidin-3-ylquinolin-2-amine
CID 67443498
1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 106542356

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The IUPAC name of 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (CID 137012283) is 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.
What is the SMILES notation for 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The canonical SMILES for 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is CCC1C(C)CNc2c3cc(OC)ccc3nn21.
What is the InChIKey of 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The InChIKey is NVMQWIJZTXICKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-13-9(2)8-15-14-11-7-10(18-3)5-6-12(11)16-17(13)14/h5-7,9,13,15H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole has a molecular weight of 245.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is sourced from PubChem (CID 137012283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).