4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C19H22F2N8O3 — CID 56595026

IUPAC4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCOc1cncc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22F2N8O3/c1-30-13-11-22-10-12-14(13)23-16(15(20)21)29(12)19-25-17(27-2-6-31-7-3-27)24-18(26-19)28-4-8-32-9-5-28/h10-11,15H,2-9H2,1H3
InChIKeyOXYNZMNRMVVXAX-UHFFFAOYSA-N
MW448.43 g/mol
LogP1.22
Rot. Bonds5

About 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 56595026) has the molecular formula C19H22F2N8O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID56595026
Molecular FormulaC19H22F2N8O3
Molecular Weight448.43 g/mol
Exact Mass448.18
IUPAC Name4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCOc1cncc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22F2N8O3/c1-30-13-11-22-10-12-14(13)23-16(15(20)21)29(12)19-25-17(27-2-6-31-7-3-27)24-18(26-19)28-4-8-32-9-5-28/h10-11,15H,2-9H2,1H3
InChIKeyOXYNZMNRMVVXAX-UHFFFAOYSA-N
XLogP1.22
TPSA103.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.43
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 56595026) is 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is COc1cncc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is OXYNZMNRMVVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N8O3/c1-30-13-11-22-10-12-14(13)23-16(15(20)21)29(12)19-25-17(27-2-6-31-7-3-27)24-18(26-19)28-4-8-32-9-5-28/h10-11,15H,2-9H2,1H3.
What are the key properties of 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 448.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 56595026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).