N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C27H31FN6O2 — CID 155015424

IUPACN-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NCCC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C
InChIInChI=1S/C27H31FN6O2/c1-17-9-23(28)22(27(35)29-8-7-18-5-6-18)10-21(17)19-12-31-34(16-19)26-13-30-25-11-24(36-4)20(14-32(2)3)15-33(25)26/h9-13,15-16,18H,5-8,14H2,1-4H3,(H,29,35)
InChIKeyJVIPGIGYTYSXNP-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.23
Rot. Bonds9

About N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 155015424) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID155015424
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC NameN-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NCCC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C
InChIInChI=1S/C27H31FN6O2/c1-17-9-23(28)22(27(35)29-8-7-18-5-6-18)10-21(17)19-12-31-34(16-19)26-13-30-25-11-24(36-4)20(14-32(2)3)15-33(25)26/h9-13,15-16,18H,5-8,14H2,1-4H3,(H,29,35)
InChIKeyJVIPGIGYTYSXNP-UHFFFAOYSA-N
XLogP4.23
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 155015424) is N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NCCC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C.
What is the InChIKey of N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is JVIPGIGYTYSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c1-17-9-23(28)22(27(35)29-8-7-18-5-6-18)10-21(17)19-12-31-34(16-19)26-13-30-25-11-24(36-4)20(14-32(2)3)15-33(25)26/h9-13,15-16,18H,5-8,14H2,1-4H3,(H,29,35).
What are the key properties of N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 490.58 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 155015424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).