6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

C24H28N6O3 — CID 175864642

IUPAC6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESCC1(N2CCCCC2)Cn2c(=O)c(NCc3cc4c(cn3)OCCC4)nc3ccc(=O)n1c32
InChIInChI=1S/C24H28N6O3/c1-24(28-9-3-2-4-10-28)15-29-22-18(7-8-20(31)30(22)24)27-21(23(29)32)26-13-17-12-16-6-5-11-33-19(16)14-25-17/h7-8,12,14H,2-6,9-11,13,15H2,1H3,(H,26,27)
InChIKeyHUEMWGPMCGHKIH-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.06
Rot. Bonds4

About 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (PubChem CID 175864642) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
PubChem CID175864642
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESCC1(N2CCCCC2)Cn2c(=O)c(NCc3cc4c(cn3)OCCC4)nc3ccc(=O)n1c32
InChIInChI=1S/C24H28N6O3/c1-24(28-9-3-2-4-10-28)15-29-22-18(7-8-20(31)30(22)24)27-21(23(29)32)26-13-17-12-16-6-5-11-33-19(16)14-25-17/h7-8,12,14H,2-6,9-11,13,15H2,1H3,(H,26,27)
InChIKeyHUEMWGPMCGHKIH-UHFFFAOYSA-N
XLogP2.06
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The IUPAC name of 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (CID 175864642) is 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.
What is the SMILES notation for 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The canonical SMILES for 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is CC1(N2CCCCC2)Cn2c(=O)c(NCc3cc4c(cn3)OCCC4)nc3ccc(=O)n1c32.
What is the InChIKey of 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The InChIKey is HUEMWGPMCGHKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-24(28-9-3-2-4-10-28)15-29-22-18(7-8-20(31)30(22)24)27-21(23(29)32)26-13-17-12-16-6-5-11-33-19(16)14-25-17/h7-8,12,14H,2-6,9-11,13,15H2,1H3,(H,26,27).
What are the key properties of 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione has a molecular weight of 448.53 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-2-methyl-2-piperidin-1-yl-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is sourced from PubChem (CID 175864642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).