4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide

C18H17FN6O3 — CID 59791555

IUPAC4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1ncc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1
InChIInChI=1S/C18H17FN6O3/c1-27-17-10(7-21-18(23-17)28-2)12-11(19)6-5-9-13(20)15(25-24-14(9)12)16(26)22-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,24)(H,22,26)
InChIKeyDZSUGXJQOPHPEX-UHFFFAOYSA-N
MW384.37 g/mol
LogP1.72
Rot. Bonds5

About 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide

4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide (PubChem CID 59791555) has the molecular formula C18H17FN6O3 and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
PubChem CID59791555
Molecular FormulaC18H17FN6O3
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1ncc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1
InChIInChI=1S/C18H17FN6O3/c1-27-17-10(7-21-18(23-17)28-2)12-11(19)6-5-9-13(20)15(25-24-14(9)12)16(26)22-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,24)(H,22,26)
InChIKeyDZSUGXJQOPHPEX-UHFFFAOYSA-N
XLogP1.72
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide (CID 59791555) is 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide is COc1ncc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1.
What is the InChIKey of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide?
The InChIKey is DZSUGXJQOPHPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O3/c1-27-17-10(7-21-18(23-17)28-2)12-11(19)6-5-9-13(20)15(25-24-14(9)12)16(26)22-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,24)(H,22,26).
What are the key properties of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide?
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide has a molecular weight of 384.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 59791555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).