4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride

C25H32ClN5O4 — CID 44527383

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1ccc2nccc(N(C)CC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C25H31N5O4.ClH/c1-30(20-7-10-26-19-3-4-23(32-2)29-24(19)20)16-25(31)8-5-17(6-9-25)27-14-18-13-21-22(15-28-18)34-12-11-33-21;/h3-4,7,10,13,15,17,27,31H,5-6,8-9,11-12,14,16H2,1-2H3;1H
InChIKeyGIIWEOFDERIRJW-UHFFFAOYSA-N
MW502.02 g/mol
LogP3.13
Rot. Bonds7

About 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride

4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 44527383) has the molecular formula C25H32ClN5O4 and a molecular weight of 502.02 g/mol. Its IUPAC name is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride
PubChem CID44527383
Molecular FormulaC25H32ClN5O4
Molecular Weight502.02 g/mol
Exact Mass501.21
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1ccc2nccc(N(C)CC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C25H31N5O4.ClH/c1-30(20-7-10-26-19-3-4-23(32-2)29-24(19)20)16-25(31)8-5-17(6-9-25)27-14-18-13-21-22(15-28-18)34-12-11-33-21;/h3-4,7,10,13,15,17,27,31H,5-6,8-9,11-12,14,16H2,1-2H3;1H
InChIKeyGIIWEOFDERIRJW-UHFFFAOYSA-N
XLogP3.13
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.02
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride (CID 44527383) is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride is COc1ccc2nccc(N(C)CC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl.
What is the InChIKey of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is GIIWEOFDERIRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4.ClH/c1-30(20-7-10-26-19-3-4-23(32-2)29-24(19)20)16-25(31)8-5-17(6-9-25)27-14-18-13-21-22(15-28-18)34-12-11-33-21;/h3-4,7,10,13,15,17,27,31H,5-6,8-9,11-12,14,16H2,1-2H3;1H.
What are the key properties of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride?
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 502.02 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 44527383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).