7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C21H17Cl2N5O2 — CID 166462287

IUPAC7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3cnc4c(c3)NCCO4)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H17Cl2N5O2/c1-11(19-15(22)9-24-10-16(19)23)30-13-2-3-17-14(7-13)20(28-27-17)12-6-18-21(26-8-12)29-5-4-25-18/h2-3,6-11,25H,4-5H2,1H3,(H,27,28)/t11-/m1/s1
InChIKeyMEHWSIRXEVYWER-LLVKDONJSA-N
MW442.31 g/mol
LogP5.27
Rot. Bonds4

About 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 166462287) has the molecular formula C21H17Cl2N5O2 and a molecular weight of 442.31 g/mol. Its IUPAC name is 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID166462287
Molecular FormulaC21H17Cl2N5O2
Molecular Weight442.31 g/mol
Exact Mass441.08
IUPAC Name7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3cnc4c(c3)NCCO4)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H17Cl2N5O2/c1-11(19-15(22)9-24-10-16(19)23)30-13-2-3-17-14(7-13)20(28-27-17)12-6-18-21(26-8-12)29-5-4-25-18/h2-3,6-11,25H,4-5H2,1H3,(H,27,28)/t11-/m1/s1
InChIKeyMEHWSIRXEVYWER-LLVKDONJSA-N
XLogP5.27
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.31
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 166462287) is 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is C[C@@H](Oc1ccc2[nH]nc(-c3cnc4c(c3)NCCO4)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is MEHWSIRXEVYWER-LLVKDONJSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2/c1-11(19-15(22)9-24-10-16(19)23)30-13-2-3-17-14(7-13)20(28-27-17)12-6-18-21(26-8-12)29-5-4-25-18/h2-3,6-11,25H,4-5H2,1H3,(H,27,28)/t11-/m1/s1.
What are the key properties of 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 442.31 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 166462287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).