N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide

C26H29FN6O2 — CID 169077706

IUPACN-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESCc1cc(F)c(C(=O)Nc2cnn(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H29FN6O2/c1-17-11-22(27)21(25(34)30-19-14-29-33(16-19)26(2,3)4)13-20(17)18-12-23(31-7-9-35-10-8-31)24-28-5-6-32(24)15-18/h5-6,11-16H,7-10H2,1-4H3,(H,30,34)
InChIKeyDYOWUERYFYKTIP-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.49
Rot. Bonds4

About N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide

N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide (PubChem CID 169077706) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
PubChem CID169077706
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESCc1cc(F)c(C(=O)Nc2cnn(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H29FN6O2/c1-17-11-22(27)21(25(34)30-19-14-29-33(16-19)26(2,3)4)13-20(17)18-12-23(31-7-9-35-10-8-31)24-28-5-6-32(24)15-18/h5-6,11-16H,7-10H2,1-4H3,(H,30,34)
InChIKeyDYOWUERYFYKTIP-UHFFFAOYSA-N
XLogP4.49
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide (CID 169077706) is N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide is Cc1cc(F)c(C(=O)Nc2cnn(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide?
The InChIKey is DYOWUERYFYKTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-17-11-22(27)21(25(34)30-19-14-29-33(16-19)26(2,3)4)13-20(17)18-12-23(31-7-9-35-10-8-31)24-28-5-6-32(24)15-18/h5-6,11-16H,7-10H2,1-4H3,(H,30,34).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide?
N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide has a molecular weight of 476.56 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 169077706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).