N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

C19H20FN5O — CID 177028729

IUPACN-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCCn1cc(-c2cc(C)nc(C3(F)CC3)n2)c2cc(NC(C)=O)ncc21
InChIInChI=1S/C19H20FN5O/c1-4-25-10-14(13-8-17(23-12(3)26)21-9-16(13)25)15-7-11(2)22-18(24-15)19(20)5-6-19/h7-10H,4-6H2,1-3H3,(H,21,23,26)
InChIKeyJDRWOJLISJKXLG-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.74
Rot. Bonds4

About N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 177028729) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID177028729
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCCn1cc(-c2cc(C)nc(C3(F)CC3)n2)c2cc(NC(C)=O)ncc21
InChIInChI=1S/C19H20FN5O/c1-4-25-10-14(13-8-17(23-12(3)26)21-9-16(13)25)15-7-11(2)22-18(24-15)19(20)5-6-19/h7-10H,4-6H2,1-3H3,(H,21,23,26)
InChIKeyJDRWOJLISJKXLG-UHFFFAOYSA-N
XLogP3.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 177028729) is N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CCn1cc(-c2cc(C)nc(C3(F)CC3)n2)c2cc(NC(C)=O)ncc21.
What is the InChIKey of N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is JDRWOJLISJKXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-4-25-10-14(13-8-17(23-12(3)26)21-9-16(13)25)15-7-11(2)22-18(24-15)19(20)5-6-19/h7-10H,4-6H2,1-3H3,(H,21,23,26).
What are the key properties of N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 177028729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).