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

C24H30ClN5O4 — CID 44527051

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1ccc2nccc(NCC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C24H29N5O4.ClH/c1-31-22-3-2-18-23(29-22)19(6-9-25-18)28-15-24(30)7-4-16(5-8-24)26-13-17-12-20-21(14-27-17)33-11-10-32-20;/h2-3,6,9,12,14,16,26,30H,4-5,7-8,10-11,13,15H2,1H3,(H,25,28);1H
InChIKeyLWWYZHXTTHDQFK-UHFFFAOYSA-N
MW487.99 g/mol
LogP3.10
Rot. Bonds7

About 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]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)amino]methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 44527051) has the molecular formula C24H30ClN5O4 and a molecular weight of 487.99 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)amino]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)amino]methyl]cyclohexan-1-ol;hydrochloride
PubChem CID44527051
Molecular FormulaC24H30ClN5O4
Molecular Weight487.99 g/mol
Exact Mass487.20
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1ccc2nccc(NCC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C24H29N5O4.ClH/c1-31-22-3-2-18-23(29-22)19(6-9-25-18)28-15-24(30)7-4-16(5-8-24)26-13-17-12-20-21(14-27-17)33-11-10-32-20;/h2-3,6,9,12,14,16,26,30H,4-5,7-8,10-11,13,15H2,1H3,(H,25,28);1H
InChIKeyLWWYZHXTTHDQFK-UHFFFAOYSA-N
XLogP3.10
TPSA110.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 53.10
H-Bond Donors ≤ 53
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)amino]methyl]cyclohexan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)amino]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)amino]methyl]cyclohexan-1-ol;hydrochloride (CID 44527051) is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]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)amino]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)amino]methyl]cyclohexan-1-ol;hydrochloride is COc1ccc2nccc(NCC3(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)amino]methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is LWWYZHXTTHDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4.ClH/c1-31-22-3-2-18-23(29-22)19(6-9-25-18)28-15-24(30)7-4-16(5-8-24)26-13-17-12-20-21(14-27-17)33-11-10-32-20;/h2-3,6,9,12,14,16,26,30H,4-5,7-8,10-11,13,15H2,1H3,(H,25,28);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)amino]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)amino]methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 487.99 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 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)amino]methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 44527051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).