5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C22H20FN9O — CID 134455406

IUPAC5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3nc[nH]c23)cccc1-c1ncn(C)n1
InChIInChI=1S/C22H20FN9O/c1-12-7-17(24-9-14(12)23)29-18-8-16(19-22(30-18)26-10-25-19)28-15-6-4-5-13(20(15)33-3)21-27-11-32(2)31-21/h4-11H,1-3H3,(H3,24,25,26,28,29,30)
InChIKeyLNULBVWDISPZBI-UHFFFAOYSA-N
MW445.46 g/mol
LogP4.09
Rot. Bonds6

About 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455406) has the molecular formula C22H20FN9O and a molecular weight of 445.46 g/mol. Its IUPAC name is 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455406
Molecular FormulaC22H20FN9O
Molecular Weight445.46 g/mol
Exact Mass445.18
IUPAC Name5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3nc[nH]c23)cccc1-c1ncn(C)n1
InChIInChI=1S/C22H20FN9O/c1-12-7-17(24-9-14(12)23)29-18-8-16(19-22(30-18)26-10-25-19)28-15-6-4-5-13(20(15)33-3)21-27-11-32(2)31-21/h4-11H,1-3H3,(H3,24,25,26,28,29,30)
InChIKeyLNULBVWDISPZBI-UHFFFAOYSA-N
XLogP4.09
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455406) is 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3nc[nH]c23)cccc1-c1ncn(C)n1.
What is the InChIKey of 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is LNULBVWDISPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN9O/c1-12-7-17(24-9-14(12)23)29-18-8-16(19-22(30-18)26-10-25-19)28-15-6-4-5-13(20(15)33-3)21-27-11-32(2)31-21/h4-11H,1-3H3,(H3,24,25,26,28,29,30).
What are the key properties of 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 445.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).