5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C19H23FN6O2 — CID 46208414

IUPAC5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)cc1-c1cc2cc(F)cnc2n1C
InChIInChI=1S/C19H23FN6O2/c1-24-16(10-13-9-14(20)12-22-18(13)24)17-11-15(23-25(17)2)19(27)21-3-4-26-5-7-28-8-6-26/h9-12H,3-8H2,1-2H3,(H,21,27)
InChIKeyXNJYKYRZZJXJGR-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.17
Rot. Bonds5

About 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 46208414) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID46208414
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)cc1-c1cc2cc(F)cnc2n1C
InChIInChI=1S/C19H23FN6O2/c1-24-16(10-13-9-14(20)12-22-18(13)24)17-11-15(23-25(17)2)19(27)21-3-4-26-5-7-28-8-6-26/h9-12H,3-8H2,1-2H3,(H,21,27)
InChIKeyXNJYKYRZZJXJGR-UHFFFAOYSA-N
XLogP1.17
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 46208414) is 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCCN2CCOCC2)cc1-c1cc2cc(F)cnc2n1C.
What is the InChIKey of 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XNJYKYRZZJXJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-24-16(10-13-9-14(20)12-22-18(13)24)17-11-15(23-25(17)2)19(27)21-3-4-26-5-7-28-8-6-26/h9-12H,3-8H2,1-2H3,(H,21,27).
What are the key properties of 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46208414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).