(3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C17H26F2N4O — CID 131696152

IUPAC(3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)N(C)CC1c2ncn(C)c2CCN1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C17H26F2N4O/c1-11(2)21(3)9-14-15-13(22(4)10-20-15)5-6-23(14)16(24)12-7-17(18,19)8-12/h10-12,14H,5-9H2,1-4H3
InChIKeySAYZVPYLNHSMFY-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.23
Rot. Bonds4

About (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 131696152) has the molecular formula C17H26F2N4O and a molecular weight of 340.42 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID131696152
Molecular FormulaC17H26F2N4O
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name(3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)N(C)CC1c2ncn(C)c2CCN1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C17H26F2N4O/c1-11(2)21(3)9-14-15-13(22(4)10-20-15)5-6-23(14)16(24)12-7-17(18,19)8-12/h10-12,14H,5-9H2,1-4H3
InChIKeySAYZVPYLNHSMFY-UHFFFAOYSA-N
XLogP2.23
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 131696152) is (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is CC(C)N(C)CC1c2ncn(C)c2CCN1C(=O)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is SAYZVPYLNHSMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O/c1-11(2)21(3)9-14-15-13(22(4)10-20-15)5-6-23(14)16(24)12-7-17(18,19)8-12/h10-12,14H,5-9H2,1-4H3.
What are the key properties of (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131696152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).