4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

C14H17N3O — CID 137012219

IUPAC4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESc1ccc2c3n(nc2c1)C(C1CCOC1)CCN3
InChIInChI=1S/C14H17N3O/c1-2-4-12-11(3-1)14-15-7-5-13(17(14)16-12)10-6-8-18-9-10/h1-4,10,13,15H,5-9H2
InChIKeyXPCIRKLAPFXSHG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds1

About 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (PubChem CID 137012219) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
PubChem CID137012219
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESc1ccc2c3n(nc2c1)C(C1CCOC1)CCN3
InChIInChI=1S/C14H17N3O/c1-2-4-12-11(3-1)14-15-7-5-13(17(14)16-12)10-6-8-18-9-10/h1-4,10,13,15H,5-9H2
InChIKeyXPCIRKLAPFXSHG-UHFFFAOYSA-N
XLogP2.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
CID 136841460
3-bromo-7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841759
2-methyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709222
7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838222
2-(oxan-4-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841290
2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840545
2-[7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 136776020
3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841736
(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
CID 122458295
(1R)-1-[(3S)-morpholin-4-ium-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride
CID 122458196
3-(9H-fluoren-9-yl)oxolane
CID 102547285
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The IUPAC name of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (CID 137012219) is 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.
What is the SMILES notation for 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The canonical SMILES for 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is c1ccc2c3n(nc2c1)C(C1CCOC1)CCN3.
What is the InChIKey of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The InChIKey is XPCIRKLAPFXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12-11(3-1)14-15-7-5-13(17(14)16-12)10-6-8-18-9-10/h1-4,10,13,15H,5-9H2.
What are the key properties of 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole has a molecular weight of 243.31 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is sourced from PubChem (CID 137012219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).