(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C17H24F2N4O2 — CID 131696163

IUPAC(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cnc2c1CCN(C(=O)C1CC(F)(F)C1)C2CN1CCOCC1
InChIInChI=1S/C17H24F2N4O2/c1-21-11-20-15-13(21)2-3-23(16(24)12-8-17(18,19)9-12)14(15)10-22-4-6-25-7-5-22/h11-12,14H,2-10H2,1H3
InChIKeyZOVXITWDCGRJQH-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.22
Rot. Bonds3

About (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 131696163) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID131696163
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cnc2c1CCN(C(=O)C1CC(F)(F)C1)C2CN1CCOCC1
InChIInChI=1S/C17H24F2N4O2/c1-21-11-20-15-13(21)2-3-23(16(24)12-8-17(18,19)9-12)14(15)10-22-4-6-25-7-5-22/h11-12,14H,2-10H2,1H3
InChIKeyZOVXITWDCGRJQH-UHFFFAOYSA-N
XLogP1.22
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 131696163) is (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is Cn1cnc2c1CCN(C(=O)C1CC(F)(F)C1)C2CN1CCOCC1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is ZOVXITWDCGRJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-21-11-20-15-13(21)2-3-23(16(24)12-8-17(18,19)9-12)14(15)10-22-4-6-25-7-5-22/h11-12,14H,2-10H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 354.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131696163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).