3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole

C17H23F2N5O — CID 131695612

IUPAC3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2Cc3ncn(C)c3CC2CN2CCC(F)(F)C2)no1
InChIInChI=1S/C17H23F2N5O/c1-12-5-13(21-25-12)7-24-9-15-16(22(2)11-20-15)6-14(24)8-23-4-3-17(18,19)10-23/h5,11,14H,3-4,6-10H2,1-2H3
InChIKeyVTELYMCLRUQRDJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.98
Rot. Bonds4

About 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole

3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 131695612) has the molecular formula C17H23F2N5O and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID131695612
Molecular FormulaC17H23F2N5O
Molecular Weight351.40 g/mol
Exact Mass351.19
IUPAC Name3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2Cc3ncn(C)c3CC2CN2CCC(F)(F)C2)no1
InChIInChI=1S/C17H23F2N5O/c1-12-5-13(21-25-12)7-24-9-15-16(22(2)11-20-15)6-14(24)8-23-4-3-17(18,19)10-23/h5,11,14H,3-4,6-10H2,1-2H3
InChIKeyVTELYMCLRUQRDJ-UHFFFAOYSA-N
XLogP1.98
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole (CID 131695612) is 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2Cc3ncn(C)c3CC2CN2CCC(F)(F)C2)no1.
What is the InChIKey of 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is VTELYMCLRUQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O/c1-12-5-13(21-25-12)7-24-9-15-16(22(2)11-20-15)6-14(24)8-23-4-3-17(18,19)10-23/h5,11,14H,3-4,6-10H2,1-2H3.
What are the key properties of 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole?
3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 351.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 131695612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).