4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol

C26H30N6O4 — CID 155371160

IUPAC4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol
SMILESCOc1nc(N2CC3CC2CO3)cc(-n2ncc3cc(C)c(C4=C(O)CN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C26H30N6O4/c1-15-5-16-9-27-32(22(16)7-21(15)20-3-4-30(11-23(20)33)18-12-35-13-18)25-8-24(28-26(29-25)34-2)31-10-19-6-17(31)14-36-19/h5,7-9,17-19,33H,3-4,6,10-14H2,1-2H3
InChIKeyMFDNPYHGDPTDSN-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.48
Rot. Bonds5

About 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol

4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol (PubChem CID 155371160) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol.

Molecular Properties

Compound Name4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol
PubChem CID155371160
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol
SMILESCOc1nc(N2CC3CC2CO3)cc(-n2ncc3cc(C)c(C4=C(O)CN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C26H30N6O4/c1-15-5-16-9-27-32(22(16)7-21(15)20-3-4-30(11-23(20)33)18-12-35-13-18)25-8-24(28-26(29-25)34-2)31-10-19-6-17(31)14-36-19/h5,7-9,17-19,33H,3-4,6,10-14H2,1-2H3
InChIKeyMFDNPYHGDPTDSN-UHFFFAOYSA-N
XLogP2.48
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol?
The IUPAC name of 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol (CID 155371160) is 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol.
What is the SMILES notation for 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol?
The canonical SMILES for 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol is COc1nc(N2CC3CC2CO3)cc(-n2ncc3cc(C)c(C4=C(O)CN(C5COC5)CC4)cc32)n1.
What is the InChIKey of 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol?
The InChIKey is MFDNPYHGDPTDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-15-5-16-9-27-32(22(16)7-21(15)20-3-4-30(11-23(20)33)18-12-35-13-18)25-8-24(28-26(29-25)34-2)31-10-19-6-17(31)14-36-19/h5,7-9,17-19,33H,3-4,6,10-14H2,1-2H3.
What are the key properties of 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol?
4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol has a molecular weight of 490.56 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-5-ol is sourced from PubChem (CID 155371160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).