1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

C31H32FN5O2 — CID 18753979

IUPAC1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESNCc1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN4CCC(O)CC4)cc2F)NC3)c1
InChIInChI=1S/C31H32FN5O2/c32-27-15-21(25-7-2-1-5-22(25)18-36-12-10-24(38)11-13-36)8-9-26(27)29-31(39)30-28(17-34-29)35-19-37(30)23-6-3-4-20(14-23)16-33/h1-9,14-15,19,24,29,34,38H,10-13,16-18,33H2
InChIKeyMIHREYDEORHXHY-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.12
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753979) has the molecular formula C31H32FN5O2 and a molecular weight of 525.63 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753979
Molecular FormulaC31H32FN5O2
Molecular Weight525.63 g/mol
Exact Mass525.25
IUPAC Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESNCc1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN4CCC(O)CC4)cc2F)NC3)c1
InChIInChI=1S/C31H32FN5O2/c32-27-15-21(25-7-2-1-5-22(25)18-36-12-10-24(38)11-13-36)8-9-26(27)29-31(39)30-28(17-34-29)35-19-37(30)23-6-3-4-20(14-23)16-33/h1-9,14-15,19,24,29,34,38H,10-13,16-18,33H2
InChIKeyMIHREYDEORHXHY-UHFFFAOYSA-N
XLogP4.12
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18753979) is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is NCc1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN4CCC(O)CC4)cc2F)NC3)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is MIHREYDEORHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O2/c32-27-15-21(25-7-2-1-5-22(25)18-36-12-10-24(38)11-13-36)8-9-26(27)29-31(39)30-28(17-34-29)35-19-37(30)23-6-3-4-20(14-23)16-33/h1-9,14-15,19,24,29,34,38H,10-13,16-18,33H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 525.63 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).