7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide

C19H19FN4O3 — CID 88936274

IUPAC7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide
SMILESO=C(NOCCO)c1cc2ccncn2c1Nc1ccc(C2CC2)cc1F
InChIInChI=1S/C19H19FN4O3/c20-16-9-13(12-1-2-12)3-4-17(16)22-18-15(19(26)23-27-8-7-25)10-14-5-6-21-11-24(14)18/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)
InChIKeyWUVBWRTZZNNHHK-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.75
Rot. Bonds7

About 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide

7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide (PubChem CID 88936274) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide
PubChem CID88936274
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide
SMILESO=C(NOCCO)c1cc2ccncn2c1Nc1ccc(C2CC2)cc1F
InChIInChI=1S/C19H19FN4O3/c20-16-9-13(12-1-2-12)3-4-17(16)22-18-15(19(26)23-27-8-7-25)10-14-5-6-21-11-24(14)18/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)
InChIKeyWUVBWRTZZNNHHK-UHFFFAOYSA-N
XLogP2.75
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
CID 143830550
CID 89010523
CID 89010523
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide
CID 143830516
6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826352
5-(1,3-dioxolan-2-yl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 59348028
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide (CID 88936274) is 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide is O=C(NOCCO)c1cc2ccncn2c1Nc1ccc(C2CC2)cc1F.
What is the InChIKey of 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide?
The InChIKey is WUVBWRTZZNNHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-16-9-13(12-1-2-12)3-4-17(16)22-18-15(19(26)23-27-8-7-25)10-14-5-6-21-11-24(14)18/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26).
What are the key properties of 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide?
7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide is sourced from PubChem (CID 88936274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).