1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol

C30H28FN5O — CID 91556230

IUPAC1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESNCc1cccc(-n2cnc3cnc(-c4ccc(-c5ccccc5CN5CCCC5)cc4F)c(O)c32)c1
InChIInChI=1S/C30H28FN5O/c31-26-15-21(24-9-2-1-7-22(24)18-35-12-3-4-13-35)10-11-25(26)28-30(37)29-27(17-33-28)34-19-36(29)23-8-5-6-20(14-23)16-32/h1-2,5-11,14-15,17,19,37H,3-4,12-13,16,18,32H2
InChIKeyUVDDCXIBNVYUTR-UHFFFAOYSA-N
MW493.59 g/mol
LogP5.65
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol

1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol (PubChem CID 91556230) has the molecular formula C30H28FN5O and a molecular weight of 493.59 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
PubChem CID91556230
Molecular FormulaC30H28FN5O
Molecular Weight493.59 g/mol
Exact Mass493.23
IUPAC Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESNCc1cccc(-n2cnc3cnc(-c4ccc(-c5ccccc5CN5CCCC5)cc4F)c(O)c32)c1
InChIInChI=1S/C30H28FN5O/c31-26-15-21(24-9-2-1-7-22(24)18-35-12-3-4-13-35)10-11-25(26)28-30(37)29-27(17-33-28)34-19-36(29)23-8-5-6-20(14-23)16-32/h1-2,5-11,14-15,17,19,37H,3-4,12-13,16,18,32H2
InChIKeyUVDDCXIBNVYUTR-UHFFFAOYSA-N
XLogP5.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol (CID 91556230) is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol is NCc1cccc(-n2cnc3cnc(-c4ccc(-c5ccccc5CN5CCCC5)cc4F)c(O)c32)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The InChIKey is UVDDCXIBNVYUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O/c31-26-15-21(24-9-2-1-7-22(24)18-35-12-3-4-13-35)10-11-25(26)28-30(37)29-27(17-33-28)34-19-36(29)23-8-5-6-20(14-23)16-32/h1-2,5-11,14-15,17,19,37H,3-4,12-13,16,18,32H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol?
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol has a molecular weight of 493.59 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 91556230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).