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

C16H16N4O — CID 136841401

IUPAC9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCOc1ccc2nn3c(c2c1)NCCC3c1ccccn1
InChIInChI=1S/C16H16N4O/c1-21-11-5-6-13-12(10-11)16-18-9-7-15(20(16)19-13)14-4-2-3-8-17-14/h2-6,8,10,15,18H,7,9H2,1H3
InChIKeyDUTGYCRKNYDSDW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds2

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

9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (PubChem CID 136841401) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
PubChem CID136841401
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCOc1ccc2nn3c(c2c1)NCCC3c1ccccn1
InChIInChI=1S/C16H16N4O/c1-21-11-5-6-13-12(10-11)16-18-9-7-15(20(16)19-13)14-4-2-3-8-17-14/h2-6,8,10,15,18H,7,9H2,1H3
InChIKeyDUTGYCRKNYDSDW-UHFFFAOYSA-N
XLogP2.84
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The IUPAC name of 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (CID 136841401) is 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.
What is the SMILES notation for 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The canonical SMILES for 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is COc1ccc2nn3c(c2c1)NCCC3c1ccccn1.
What is the InChIKey of 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The InChIKey is DUTGYCRKNYDSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-11-5-6-13-12(10-11)16-18-9-7-15(20(16)19-13)14-4-2-3-8-17-14/h2-6,8,10,15,18H,7,9H2,1H3.
What are the key properties of 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole has a molecular weight of 280.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is sourced from PubChem (CID 136841401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).