1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol

C20H18FN5O2 — CID 121261514

IUPAC1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol
SMILESNCc1ccc(-c2ccnc3nc(-c4ccc(C(O)CO)cn4)[nH]c23)cc1F
InChIInChI=1S/C20H18FN5O2/c21-15-7-11(1-2-12(15)8-22)14-5-6-23-20-18(14)25-19(26-20)16-4-3-13(9-24-16)17(28)10-27/h1-7,9,17,27-28H,8,10,22H2,(H,23,25,26)
InChIKeyVGZBKPWWZQWGNT-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.31
Rot. Bonds5

About 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol

1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol (PubChem CID 121261514) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol
PubChem CID121261514
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol
SMILESNCc1ccc(-c2ccnc3nc(-c4ccc(C(O)CO)cn4)[nH]c23)cc1F
InChIInChI=1S/C20H18FN5O2/c21-15-7-11(1-2-12(15)8-22)14-5-6-23-20-18(14)25-19(26-20)16-4-3-13(9-24-16)17(28)10-27/h1-7,9,17,27-28H,8,10,22H2,(H,23,25,26)
InChIKeyVGZBKPWWZQWGNT-UHFFFAOYSA-N
XLogP2.31
TPSA120.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol?
The IUPAC name of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol (CID 121261514) is 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol?
The canonical SMILES for 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol is NCc1ccc(-c2ccnc3nc(-c4ccc(C(O)CO)cn4)[nH]c23)cc1F.
What is the InChIKey of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol?
The InChIKey is VGZBKPWWZQWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-15-7-11(1-2-12(15)8-22)14-5-6-23-20-18(14)25-19(26-20)16-4-3-13(9-24-16)17(28)10-27/h1-7,9,17,27-28H,8,10,22H2,(H,23,25,26).
What are the key properties of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol?
1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol has a molecular weight of 379.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 121261514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).