4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide

C19H22FN5O — CID 90403283

IUPAC4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCc1cnc2nc(-c3cc(NC(=O)CCCN(C)C)ccc3F)[nH]c2c1
InChIInChI=1S/C19H22FN5O/c1-12-9-16-19(21-11-12)24-18(23-16)14-10-13(6-7-15(14)20)22-17(26)5-4-8-25(2)3/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyOPFZADPUCJDCAX-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.35
Rot. Bonds6

About 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide

4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 90403283) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide
PubChem CID90403283
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCc1cnc2nc(-c3cc(NC(=O)CCCN(C)C)ccc3F)[nH]c2c1
InChIInChI=1S/C19H22FN5O/c1-12-9-16-19(21-11-12)24-18(23-16)14-10-13(6-7-15(14)20)22-17(26)5-4-8-25(2)3/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyOPFZADPUCJDCAX-UHFFFAOYSA-N
XLogP3.35
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide (CID 90403283) is 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide is Cc1cnc2nc(-c3cc(NC(=O)CCCN(C)C)ccc3F)[nH]c2c1.
What is the InChIKey of 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is OPFZADPUCJDCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-9-16-19(21-11-12)24-18(23-16)14-10-13(6-7-15(14)20)22-17(26)5-4-8-25(2)3/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,26)(H,21,23,24).
What are the key properties of 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide?
4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide has a molecular weight of 355.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 90403283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).